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- Committer: Bazaar Package Importer
- Author(s): Teemu Ikonen
- Date: 2009-11-24 16:48:04 UTC
- mfrom: (3.1.4 squeeze)
- Revision ID: james.westby@ubuntu.com-20091124164804-liuvywcs6l45ibl3
Tags: 2.7.5-1
* New upstream release
* Imakefile: Use Debian versions of library dependencies
* control:
- Add build-deps to libcvector2-dev, libcqrlib2-dev, libneartree3-dev
- Update to standards-version 3.8.3
* Imakefile: Use Debian versions of library dependencies
* control:
- Add build-deps to libcvector2-dev, libcqrlib2-dev, libneartree3-dev
- Update to standards-version 3.8.3
- files added:
- doc/rasmol.man
- src/mswin/raswin.hlp
- files removed:
- src/languages/genlangsel_all
- src/mswin/raswin.exe
- src/mswin/raswin.exe.gz
- src/mswin/raswin.exe.gz.txt
- src/new_patches
- src/old_patches
- files modified:
- .symlinks
added
removed
ChangeLog.html
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<!doctype html public "-//IETF//DTD HTML 2.0//EN">
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<HTML>
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<HEAD>
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<title>RasMol V2.7.4.2 ChangeLog</title>
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<title>RasMol V2.7.5 ChangeLog</title>
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</HEAD>
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<BODY BACKGROUND="html_graphics/rasmolwallpaper.jpg">
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<font face="Helvetica,Arial,Times" size=3>
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<font color="#0808A0">
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<H1 ALIGN=CENTER>ChangeLog<br />
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RasMol 2.7.4.2</H1>
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RasMol 2.7.5</H1>
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<center>
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<td>
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<td valign=top bgcolor="#FFFFA0"><font face="Helvetica,Arial,Times" size=2>
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<ul>
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<li><a href=http://www.rasmol.org/software/RasMol_2.7.4.2_Windows_Installer.exe>RasMol 2.7.4.2 Windows Installer</a> <br />
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<br />
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<li><a href=http://www.rasmol.org/software/RasMol_2.7.4.2.tar.gz>RasMol 2.7.4.2 Source Tarball</a><br />
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<br />
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<li><a href=http://www.rasmol.org/software/RasMol_2.7.4.2_Manual.html>RasMol 2.7.4.2 Manual</a><br />
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<li><a href=http://www.rasmol.org/software/RasMol_2.7.5_Windows_Installer.exe>RasMol 2.7.5 Windows Installer</a> <br />
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<br />
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<li><a href=http://www.rasmol.org/software/RasMol_2.7.5.tar.gz>RasMol 2.7.5 Source
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Tarball</a><br />
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<br />
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<li><a href=http://www.rasmol.org/software/RasMol_2.7.5_Manual.html>RasMol 2.7.5 Manual</a><br />
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<br />
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<li><a href=http://www.rasmol.org/donate.shtml>Donate to Support RasMol </a><br />
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<li><a href=http://www.rasmol.org/register.shtml>Register your RasMol</a><br />
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<H3 ALIGN=CENTER>
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Molecular Graphics Visualisation Tool<br />
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19 November 2007 (rev. 17 March 2008)<br />
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13 June 2009 (rev. 17 July 2009)<br />
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</h3>
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</font><font color="#000000">
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<CENTER>
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RasMol 2.7.4 Nov 07<br />
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RasMol 2.7.4.1 Jan 08<br />
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RasMol 2.7.4.2 Mar 08<br />
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RasMol 2.7.5 Jun 09</br />
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RasMol 2.7.5.1 Jul 09<br />
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<td valign="top">© Herbert J. Bernstein 1998-2008
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</table>
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</CENTER>
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yaya@bernstein-plus-sons.com
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</noscript>
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<br />
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Copyright © Herbert J. Bernstein 1998-2008<br />
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Copyright © Herbert J. Bernstein 1998-2009<br />
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</CENTER>
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<HR>
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<H4 ALIGN=CENTER>
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<HR>
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<H2 ALIGN=CENTER>IMPORTANT</H2>
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<P>
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This version is based directly on RasMol 2.7.3.1, RasMol 2.7.3, RasMol 2.7.2.1.1 and on RasMol 2.7.2,
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This version is based directly on
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RasMol 2.7.4.2, RasMol 2.7.4.1, RasMol 2.7.4,
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RasMol 2.7.3.1, RasMol 2.7.3, RasMol 2.7.2.1.1 and on RasMol 2.7.2,
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on RasMol 2.7.1.1, on RasTop 1.3,
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on RasMol version 2.6_CIF.2, on RasMol version
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2.6x1, on RasMol version 2.6.4, and RasMol 2.5-ucb and 2.6-ucb.
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us the opportunity to include those changes in future versions of RasMol.
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<HR>
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<P>
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<h3>Changes from RasMol 2.7.4.2 to RasMol 2.7.5 include:</h3>
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<ul>
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<li>Support for SBEVSL movie commands.
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<li>Support for Lee-Richards surface approximation by contouring pseudo-Gaussian electron
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densities.
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<li>Selection of atoms by proximity to map contours
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<li>Coloring of maps by the colors of neighboring atoms
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<li>Signficant improvements to the GTK version by Teemu Ikonen
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</ul>
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<P>
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<h3>Changes to RasMol 2.7.4.2 to create RasMol 2.7.5.1:</h3>
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<PRE>
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[18/07/2009] HJB .symlinks
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Update .symlinks to 2.7.5
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[17/07/2009] HJB cif.c command.c raswin_install.nsi
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Windows port changes: Update NSIS installer script
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Change from mktemp to tmpfile and use rewind not freopen
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[17/07/2009] HJB rasmol.doc rasmol.hlp rasmol.html cif.c command.c
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rasmol.man rasmol.tex rasmol.vms raswin.rtf
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Update doc for 2.7.5, and fix some spacing
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[17/07/2009] HJB cif.c x11win.c
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Correct X11 file menu for more than 5 open files
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Correct cif_read_file CBFlib version to use a temporary file
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[16/07/2009] HJB rasmol_install.sh
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Correct reporting of font installs for Chinese.X and Japanese.X
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[14/07/2009] HJB transfor.c
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Fix missing scaling in new translate logic
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[12/07/2009] HJB command.c command.h tokens.c trnasfor.c transfor.h
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Preliminary movie play logic.
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[11/07/2009] HJB command.c
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Switch record templates to SSSSSS as per manual
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Fix a bug in defer symbol linking
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Report undefined symbols in calls to show defer symbol
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[10/07/2009] HJB Imakefile_base command.c
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Correct Imakefile_base
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Add defer/execute movie interaction
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[09/07/2009] HJB Imakefile_base rasmol_build_options.sh
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Provide new script, rasmol_build_options.sh to reconstruct
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new Imakefile from stable Imakefile_base
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[09/07/2009] HJB Imakefile rasmol.c
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Default Imakefile to use local copies of CQRLIB, CVECTOR,
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XFORMSLIB and CBFLIB.
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Change from use of fl_init to fl_initialize for xforms-1.0.91
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[08/07/2009] HJB Imakefile abstree.c applemac.c cif.stx.tab.c cmndline.c
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command.c command.h graphics.h gtkwin.c multiple.c
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outfile.c rasmac.c rasmol.c rastxt.c raswin.c render.c
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repres.c transfor.c transfor.h wbrotate.c wbrotate.h x11win.c
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Partial changes for defer/execute command.
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Update versions of external files used in Makefile.
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Cleanup of varibables names for saving dial values.
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[04/07/2009] HJB command.c maps.c molecule.c pixutils.c rasmol.h repres.c
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transfor.c
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Clean up errors in map color atom command and remove use
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of polys with differing vertex colors by breaking up the
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triangles into monchrome subtriangles
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[02/07/2009] TPI molecule.c
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Add #define _GNU_SOURCE to get the correct definition of basename()
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[29/06/2009] HJB command.c
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Fix to map select atom add
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Add esd to map show for distances to surfaces
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and make code for distances to reentrant surfaces more accurate
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[25/06/2009] HJB Imakefile command.c molecule.c molecule.h
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Update to use of NearTree 2.1.2
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Add code to report surface fit stats in map show
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[18/06/2009] HJB Imakefile build_MACOSX.sh build_all.sh command.c
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rasmol_install.sh tokens.c tokens.h
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Add 'add' and 'within' parameters to map select atoms command
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Also allow search radius to be specified
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[16/06/2009] HJB Imakefile
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Update Imakefile for use of installed packages
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[14/06/2009] HJB Imakefile
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Set up loads of necessary external packages from sourceforge
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[13/06/2009] HJB Imakefile applemac.c cmndline.c cmndline.h command.c
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graphics.h maps.h molecule.c molecule.h mswin31.c
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multiple.c rasmac.c tokens.c tokens.h transfor.c transfor.h
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x11win.c
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Integrate surface and movie code with gtk code
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[03/06/2009] TPI rasmol.c
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DisplayUsage(): Revert back to fputs
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[27/05/2009] TPI render.c
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Do not assume sizeof(Pixel) == sizeof(Long)
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Use variables of type Pixel consistently in buffer clearing functions.
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Remove version of ClearBuffers() which does not require memset().
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[17/07/2009] TPI graphics.h
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add startup representation flags
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[17/07/2009] HJB rasmol.doc rasmol.html rasmol.man,
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Update manual to 2.7.5
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[12/05/2009] TPI gtkwin.c
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Fix vte input problems by using vte input callback instead of
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g_io_watch.
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Various file open fixes to GTK version
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Fix setting of initial window size.
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Fix file open in GTK version: Copy the file name to global var
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DataFileName before calling FetchFile.
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Add file type filtering to GTK filechooser.
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Whitespace fixes.
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[12/05/2009] TPI rasmol.c
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Fix text output with VTE in GTK interface.
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[12/05/2009] TPI command.c command.h rasmol.c
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Refactor file opening code. Add support for opening more
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than one file from the command line.
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Simplify file opening code, remove globs and allow to open files
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with spaces and other 'special' characters.
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Fix reading files from stdin with '-' arg.
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[07/02/2009] HJB command.c command.h rasmac.c rasmol.c rastxt.c raswin.c
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tokens.c tokens.h transfor.c transfor.h
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Updates to enable the record mode to files. Use with caution,
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there are some problems with picking up ReDrawFlag on changes
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in appearance. Mouse motion helps to get past the glitch.
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[06/02/2009] HJB command.c command.h graphics.h gtkwinc. maps.c rasmac.c
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rasmol.c rastxt.c raswin.c tokens.c tokens.h transfor.c
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transfor.h
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First pass at SBEVSL movie-making commands
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[16/11/2008] HJB command.c maps.c
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Update to Lee-Richards approximation for probe of given
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probe radius with new logic for map spread 0; map scale off;
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so that set radius <probe_rad>; map resolution .67; map spread 0;
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map scale off; map generate surface produces a good surface
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approximation
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[20/05/2009] TPI molecule.c
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ReviseTitle(): If no identcode, use filename in the title
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[20/05/2009] TPI gtkwin.c multiple.c
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Update GTK molecule list when a molecule is picked
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gtkwin.c: set_gtk_open_file(); new function.
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UpdateGtkMoleculeList(); free allocated lists, reindent
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multiple.c: SelectMolecule(); call set_gtk_open_file()
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[20/05/2009] TPI gtkwin.c rasmol.c
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Fix recent files support in GTK version
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build_gtkmenu(): Set recent user sort type to most recently used.
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Display 30 recent files.
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Reindent.
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[20/05/2009] TPI printing-resolution.glade sizechooser.glade
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Remove useless response_id properties from glade files
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[18/05/2009] TPI gtkwin.c rasmol.c
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Really fix VTE output in GTK version.
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Stop using PTYs for terminal io with VTE.
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Don't touch the controlling terminal during init and reset.
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Make Delete key work and ignore unhandled terminal escape sequences.
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Use custom versions of RasMolExit and RasMolFatalExit in GTK version.
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Add some keyboard shortcuts to the GTK GUI.
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[18/05/2009] TPI gtkwin.c
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Change image export shortcut to C-X
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[14/05/2009] TPI rasmol_48x48.xpm Imakefile gtkwin.c
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Add an xpm icon for Rasmol.
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Set window icon in the GTK version.
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[13/05/2009] TPI command.c
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revert the filename globbing and extension handling code
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[15/02/2009] HJB rasmac.c rasmol.c raswin.c
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Clean up handling of ReDrawFlag for appearance changes
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[31/10/2008] HJB command.c maps.c
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First pass a Lee-Richards surface approximation for map
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generate with map resolution 1; map cale off; map level .5;
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map generate mesh
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</PRE>
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<h3>Changes from RasMol 2.7.4.1 to RasMol 2.7.4.2 include:</h3>
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<ul>
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<li>Alignment of command line sizing and positioning options for
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<PRE>
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[18/03/2008] HJB graphics.h mswin31.c rasmol.c rastxt.c
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raswin.c x11win.c
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Add global InitWidth, InitHeight, InitXPos, InitYPos
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to support common implementation of command line
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options -height nnnn -width nnnn -xpos nnnn -ypos nnnn
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to control initial window size and position
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raswin.c x11win.c
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Add global InitWidth, InitHeight, InitXPos, InitYPos
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to support common implementation of command line
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options -height nnnn -width nnnn -xpos nnnn -ypos nnnn
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to control initial window size and position
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[18/03/2008] HJB x11win.c
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Redo Japanese and Chinese fontset logic as per suggestion
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by Mamoru Yamanishi
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Redo Japanese and Chinese fontset logic as per suggestion
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by Mamoru Yamanishi
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[18/03/2008] HJB Imakefile
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Allow use of old X locale.
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Allow use of old X locale.
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[18/03/2008] HJB langsel_unix.c
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Switch Japanese for unix from SJIS to EUC-JP, introducing
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langsel_unix.c
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Switch Japanese for unix from SJIS to EUC-JP, introducing
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langsel_unix.c
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[21/02/2008] TPI actionmenu.gtk egg-macros.h eggfileformatchooser.c
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eggfileformatchosser.h graphics.h gtkwin.c Imakefile
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multiple.c printing-resolution.glade rasmol.c sizechooser.glade
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transfor.c wbrotate.c
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Addition of GTK interface by T. Ikonen, including new routines
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actionmenu.gtk egg-macros.h eggfileformatchooser.c
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eggfileformatchosser.h gtkwin.c printing-resolution.glade
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sizechooser.glade
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eggfileformatchosser.h graphics.h gtkwin.c Imakefile
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multiple.c printing-resolution.glade rasmol.c sizechooser.glade
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transfor.c wbrotate.c
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Addition of GTK interface by T. Ikonen, including new routines
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actionmenu.gtk egg-macros.h eggfileformatchooser.c
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eggfileformatchosser.h gtkwin.c printing-resolution.glade
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sizechooser.glade
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</PRE>
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<PRE>
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[19/01/2008] HJB
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Release 2.7.4.1 created
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[18/01/2008] HJB command.c, maps.c, maps.h, molecule.c
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mswin31.c outfile.c outfile.h pixutils.c pixutils.h
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rasmac.c, repres.c
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Add LoadCCP4MapFile. Extend range of stereo angle to
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60 degrees. Add GM notoggle command. Add code to
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avoid trying to reuse a zapped map. Increase default
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map resolution to 1 Angstrom. Change mapdata to
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void * and use memmove to allow multiple data types,
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add fields for number of grid divisions, map type,
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element size and element type. Add code to load
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and save maps in CBFlib format. Fix stereo.
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[16/01/2008] HJB vector.c wbrotate.c
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Fix multiple definitions of PI.
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[14/01/2008] LM infile.c
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Add include of string.h as per Ladislav Michnovic.
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[14/12/2008] HJB graphics.h
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Add buffers for slab and depth pixel-by-pixel
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cutoff values.
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[10/12/2007] GM langsel.c langsel.h languages/README.txt
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languages/genlanselall languages/langsel*.utf.c,
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tokens.c tokens.c
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Corrected japanese langsel encoding. It is now
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Shift_JIS.Added messages for NoToggle and ColourMode
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commands. Updated langsel README.txt. Add NoToggle
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and ColourMode commands
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[06/12/2008] GM command.h
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Add NoToggle and ColourMode variables.
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[25/11/2007] HJB cif_fract.c
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Rewrite calculation of matrix inverse.
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Release 2.7.4.1 created
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[18/01/2008] HJB command.c, maps.c, maps.h, molecule.c
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mswin31.c outfile.c outfile.h pixutils.c pixutils.h
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rasmac.c, repres.c
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Add LoadCCP4MapFile. Extend range of stereo angle to
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60 degrees. Add GM notoggle command. Add code to
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avoid trying to reuse a zapped map. Increase default
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map resolution to 1 Angstrom. Change mapdata to
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void * and use memmove to allow multiple data types,
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add fields for number of grid divisions, map type,
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element size and element type. Add code to load
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and save maps in CBFlib format. Fix stereo.
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[16/01/2008] HJB vector.c wbrotate.c
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Fix multiple definitions of PI.
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[14/01/2008] LM infile.c
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Add include of string.h as per Ladislav Michnovic.
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[14/12/2008] HJB graphics.h
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Add buffers for slab and depth pixel-by-pixel
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cutoff values.
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[10/12/2007] GM langsel.c langsel.h languages/README.txt
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languages/genlanselall languages/langsel*.utf.c,
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tokens.c tokens.c
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Corrected japanese langsel encoding. It is now
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Shift_JIS.Added messages for NoToggle and ColourMode
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commands. Updated langsel README.txt. Add NoToggle
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and ColourMode commands
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[06/12/2008] GM command.h
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Add NoToggle and ColourMode variables.
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[25/11/2007] HJB cif_fract.c
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Rewrite calculation of matrix inverse.
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</PRE>
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<h3>Changes to RasMol 2.7.3.1 to create RasMol 2.7.4:</h3>
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<PRE>
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[19/11/2007] HJB
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Release 2.7.4 created
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460
[19/11/2007] HJB
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Release 2.7.4 created
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463
[19/11/2007] HJB abstree.c abstree.h
260
Break out element identification from GetElemNumber
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into GetElemDescrNumber. Fix torsion angle calculation
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as per bug report and patch by Swati Jain.
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464
Break out element identification from GetElemNumber
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into GetElemDescrNumber. Fix torsion angle calculation
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as per bug report and patch by Swati Jain.
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[19/11/2007] HJB applemac.c
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Add code to make languages sticky. Add register and
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donate menu items, make languages sticky and launch
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browsers.
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Add code to make languages sticky. Add register and
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donate menu items, make languages sticky and launch
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browsers.
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[19/11/2007] HJB cif_fract.c
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Correct calculation of matrix transforming orthogonal
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to fractional coordinates and rewrite matrix
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transforming fractional to orthogonal.
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Correct calculation of matrix transforming orthogonal
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to fractional coordinates and rewrite matrix
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transforming fractional to orthogonal.
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[19/11/2007] HJB command.c command.h
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Add code for map commands. Make CommandError accessible
276
from other routines. Add Raster3D write/save option.
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Allow proberadius of 6 Angstroms. Add Bulgarian,
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Chinese, Japanese and Russian commands. Allow
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spacefill up to 12 Angstroms. Allow mirror and
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rotate suboptions on write/save.
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Add code for map commands. Make CommandError accessible
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from other routines. Add Raster3D write/save option.
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Allow proberadius of 6 Angstroms. Add Bulgarian,
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Chinese, Japanese and Russian commands. Allow
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spacefill up to 12 Angstroms. Allow mirror and
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rotate suboptions on write/save.
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[19/11/2007] HJB font.h, graphics.h
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Allow access to font parameters and support info
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Allow access to font parameters and support info
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[19/11/2007] HJB Imakefile
286
Add use of CBFlib
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Add use of CBFlib
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491
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[19/11/2007] HJB infile.c
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Make sensitive to PDB version to allow for handling of
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remediated files, based on changes suggested by
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Huanwang Yang of the RCSB PDB in April 2007.
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Make sensitive to PDB version to allow for handling of
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remediated files, based on changes suggested by
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Huanwang Yang of the RCSB PDB in April 2007.
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496
293
497
[19/11/2007] GT langsel.c languages/
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langsel.c restructured to be generated from separate
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language files in the directory languages/
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langsel.c restructured to be generated from separate
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language files in the directory languages/
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[19/11/2007] HJB molecule.c molecule.h
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Add atom type processing and DA, DC, DG, DT, DI for
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remediated PDB DNAs, based on changes suggested by
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Huanwang Yang of the RCSB PDB in April 2007.
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Add atom type processing and DA, DC, DG, DT, DI for
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remediated PDB DNAs, based on changes suggested by
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Huanwang Yang of the RCSB PDB in April 2007.
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506
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[19/11/2007] HJB multiple.c multiple.h
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Manage map data for multiple molecules. Increase the number
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of molecules from 5 to 15. Increase the number of characters
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in the name to 33 characters.
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Manage map data for multiple molecules. Increase the number
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of molecules from 5 to 15. Increase the number of characters
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in the name to 33 characters.
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[03/12/2006] HJB outfile.c
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Clean up compilation warnings in outfile.c
514
Clean up compilation warnings in outfile.c
311
515
312
516
[19/11/2007] HJB outfile.c outfile.h
313
Add Raster3D support based on code by V. Stanev. Partial
314
Vector PS map support.
517
Add Raster3D support based on code by V. Stanev. Partial
518
Vector PS map support.
315
519
316
520
[19/11/2007] HJB pixutils.h
317
Fix stereo of ribbons and map surfaces. Protect against
318
duplicate definition of Knot struct. Make ClipPolygon
319
accessible.
521
Fix stereo of ribbons and map surfaces. Protect against
522
duplicate definition of Knot struct. Make ClipPolygon
523
accessible.
320
524
321
525
[19/11/2007] HJB rasmac.c rasmac.h
322
Increase terminal window to 132 characters. Add About dialog.
323
Clean up maps on exit. Add support for Russian, Bulgarian,
324
Chinese and Japonese. Add register and donate browser calls.
325
Add G4 CPU type. Extend export file types.
526
Increase terminal window to 132 characters. Add About dialog.
527
Clean up maps on exit. Add support for Russian, Bulgarian,
528
Chinese and Japonese. Add register and donate browser calls.
529
Add G4 CPU type. Extend export file types.
326
530
327
531
328
532
[19/11/2007] HJB RasMac.r
329
Update icons to new style. Extend Export menu to BMP...,
330
GIF..., IRIS RGB..., PPM..., Sun Raster, PostScript, PICT...,
331
Vector PS ..., Molscript ..., Kinemage ..., POVRay 3 ...,
332
VRML ..., Ramachandran ..., Raster3D ..., RasMol Script ....
333
Extend Apple menu to About RasMol..., RasMol Help ...,
334
Register ..., Donate ....
533
Update icons to new style. Extend Export menu to BMP...,
534
GIF..., IRIS RGB..., PPM..., Sun Raster, PostScript, PICT...,
535
Vector PS ..., Molscript ..., Kinemage ..., POVRay 3 ...,
536
VRML ..., Ramachandran ..., Raster3D ..., RasMol Script ....
537
Extend Apple menu to About RasMol..., RasMol Help ...,
538
Register ..., Donate ....
335
539
336
540
[19/11/2007] HJB rasmol.c
337
Update to release 2.7.4 with map support.
541
Update to release 2.7.4 with map support.
338
542
339
543
340
544
[19/11/2007] HJB script.c script.h
341
Add code to write out scripts for maps.
545
Add code to write out scripts for maps.
342
546
343
547
344
548
[19/11/2007] HJB string_case.c string_case.h
345
Fix case sensistive of last character comparison of strcasecmp and
346
strncasecmp. Add str255casecmp, strcasestr.
549
Fix case sensistive of last character comparison of strcasecmp and
550
strncasecmp. Add str255casecmp, strcasestr.
347
551
348
552
349
553
[19/11/2007] HJB tokens.c tokens.h
350
Add tokens for Average (MeanTok), Bulgarian (BulgarianTok),
351
Chinese (ChineseTok), Contour (ContourTok = LevelTok),
352
Generate (GenerateTok), Japanese (JapaneseTok), Level (LevelTok
353
= ContourTok), Map (MapTok), Mask (MaskTok), Mesh (WireframeTok),
354
Mirror (MirrorTok), New (NewTok), Next (NextTok), R3D or
355
Raster3D (Raster3DTok), Resolution (ResolutionTok), Spacing
356
(SpacingTok), Spread (SpreadTok), Width (SpreadTok),
554
Add tokens for Average (MeanTok), Bulgarian (BulgarianTok),
555
Chinese (ChineseTok), Contour (ContourTok = LevelTok),
556
Generate (GenerateTok), Japanese (JapaneseTok), Level (LevelTok
557
= ContourTok), Map (MapTok), Mask (MaskTok), Mesh (WireframeTok),
558
Mirror (MirrorTok), New (NewTok), Next (NextTok), R3D or
559
Raster3D (Raster3DTok), Resolution (ResolutionTok), Spacing
560
(SpacingTok), Spread (SpreadTok), Width (SpreadTok),
357
561
358
562
359
563
[19/11/2007] HJB transfor.c transfor.h
360
Add map point colouring routines, ColourPointAttrib and
361
ColourPointPotential.
564
Add map point colouring routines, ColourPointAttrib and
565
ColourPointPotential.
362
566
363
567
[19/11/2007] HJB x11win.c
364
Extend Export menu to BMP ..., GIF ..., IRIS RGB ..., PPM ...,
365
Sun Raster, PostScript, PICT ..., Vector PS ..., Molscript ...,
366
Kinemage ..., POVRay 3 ..., VRML ..., Ramachandran ...,
367
Raster3D ..., RasMol Script .... Enable and extend Help
368
menu to About RasMol..., User Manual..., Register...,
369
Donate.... Set locale for each langauge and use fontsets.
370
Use table of languages versus fonts in langsel. Add
371
About splash screen and revise popup logic to handle it.
372
Change text metrics to allow for Chineses and Japanese.
373
Try to make lack of access to shared memory non-fatal.
568
Extend Export menu to BMP ..., GIF ..., IRIS RGB ..., PPM ...,
569
Sun Raster, PostScript, PICT ..., Vector PS ..., Molscript ...,
570
Kinemage ..., POVRay 3 ..., VRML ..., Ramachandran ...,
571
Raster3D ..., RasMol Script .... Enable and extend Help
572
menu to About RasMol..., User Manual..., Register...,
573
Donate.... Set locale for each langauge and use fontsets.
574
Use table of languages versus fonts in langsel. Add
575
About splash screen and revise popup logic to handle it.
576
Change text metrics to allow for Chineses and Japanese.
577
Try to make lack of access to shared memory non-fatal.
374
578
375
579
[03/10/2007] PK molecule.c
376
"RasMol - " string added to the title of the window.
580
"RasMol - " string added to the title of the window.
377
581
378
582
[03/10/2007] PK multiple.c
379
Window title is updated when different molecule is selected.
583
Window title is updated when different molecule is selected.
380
584
381
585
[02/02/2007] HJB rasmol.c
382
Remove // comments for AIX build. Fix signed length conflict
586
Remove // comments for AIX build. Fix signed length conflict
383
587
384
588
[01/03/2007] GT rasmol.c
385
Chinese version.
589
Chinese version.
386
590
387
591
[23/12/2006] HJB x11win.c
388
Detect remote X server that does not share memory
592
Detect remote X server that does not share memory
389
593
390
594
[29/12/2006] HJB rasmol.c x11win.c
391
Update x11win.c and rasmol.c to add links to list of browsers
392
and to kill About dialog when the menu bar is selected
393
595
Update x11win.c and rasmol.c to add links to list of browsers
596
and to kill About dialog when the menu bar is selected
597
394
598
[29/12/2006] HJB rasmol_install.sh
395
Update rasmol_install.sh to allow recompilation of fonts
396
on install to handle openwin and other old systems that
397
can't handle byte-swapped bdf files, and add enviroment
398
variable RASMOL_NOSPAWN to suppress spawn in intermediate
399
xterm from rasmol_run.sh. -- HJB
599
Update rasmol_install.sh to allow recompilation of fonts
600
on install to handle openwin and other old systems that
601
can't handle byte-swapped bdf files, and add enviroment
602
variable RASMOL_NOSPAWN to suppress spawn in intermediate
603
xterm from rasmol_run.sh. -- HJB
400
604
401
605
[23/12/2006] HJB rasmol_install.sh, rasmol_run.sh scripts
402
Add new rasmol_install.sh and rasmol_run.sh scripts
606
Add new rasmol_install.sh and rasmol_run.sh scripts
403
607
404
608
[29/11/2006] HJB raswin.idm
405
Fix missing raswin.idm in src.
609
Fix missing raswin.idm in src.
406
610
407
611
[29/11/2006] HJB rasmol.c
408
Add missing include of sys/stat.h in rasmol.c
612
Add missing include of sys/stat.h in rasmol.c
409
613
410
614
411
615
[10/12/2006] HJB x11win.c
412
Additional updates for linux build with Russian, cleaning
413
up X11 font selection for CP1251 and recovering when fonts
414
are missing. -- HJB
616
Additional updates for linux build with Russian, cleaning
617
up X11 font selection for CP1251 and recovering when fonts
618
are missing. -- HJB
415
619
416
620
[03/12/2006] HJB x11win.c
417
Mods for about screen under Linux -- HJB
621
Mods for about screen under Linux -- HJB
418
622
419
623
[28/11/2006] HJB x11win.c
420
Changes for Russian and About dialog in unix
624
Changes for Russian and About dialog in unix
421
625
422
626
[20/10/2006] HJB wbrotate.c
423
Localize " not found!" message in RemoveBond and CreateBondAxis
627
Localize " not found!" message in RemoveBond and CreateBondAxis
424
628
425
629
[16/09/2006] HJB x11win.c rasmol.c
426
Start of RasMol Russian Translation Project based on translations
427
by Gregory A. Pozhvanov of Saint Petersburg State University.
630
Start of RasMol Russian Translation Project based on translations
631
by Gregory A. Pozhvanov of Saint Petersburg State University.
428
632
429
633
[11/02/2006] HJB script.c script.h
430
Add mirror and rotate options for VRML.
634
Add mirror and rotate options for VRML.
431
635
432
636
</PRE>
433
637
<P>
473
677
Changes to RasMol 2.7.3 to create RasMol 2.7.3.1:</h3>
474
678
<PRE>
475
679
[21/04/2006] HJB rasmol.h RasMac.r raswin.rc
476
Update version to 2.7.3.1
477
478
[21/04/2006] CC abstree.c render.c repres.c repres.h
479
Fix by Clarice Chigbo to improve accuracy of
480
distance calculations by changing from Long to
481
double. Report model number. Use Long instead
482
of short for monitors.
483
484
[15/12/2005] HJB x11win.c
485
Fix mouse runaway by removing conflict of HeldStep
486
and HeldButton variable name use.
487
680
Update version to 2.7.3.1
681
682
[21/04/2006] CC abstree.c render.c repres.c repres.h
683
Fix by Clarice Chigbo to improve accuracy of
684
distance calculations by changing from Long to
685
double. Report model number. Use Long instead
686
of short for monitors.
687
688
[15/12/2005] HJB x11win.c
689
Fix mouse runaway by removing conflict of HeldStep
690
and HeldButton variable name use.
691
488
692
[16/07/2005] HJB abstree.c infile.c render.c
489
Correct sign errors in use of ztrl
490
693
Correct sign errors in use of ztrl
694
491
695
492
696
493
697
</PRE>
496
700
Changes to RasMol 2.7.2.1.1 to create RasMol 2.7.3:</h3>
497
701
<PRE>
498
702
499
[06/02/2005] HJB
500
Release 2.7.3 created
501
502
[21/01/2005] HJB molecule.c
503
Correct XYZ input by capping atom types. Thanks to
504
Stuart Prescott.
505
506
[16/01/2005] HJB applemac.c, cmndline.c, command.c, command.h,
507
infile.c, langsel.c, langsel.h, langsel_mac.c,
508
molecule.c, molecule.h, mswin31.c, multiple.c,
509
pixutils.c, pixutils.h, rasmac.c, rasmol.c,
510
rastxt.c, raswin.c, render.c, render.h, repres.c,
511
repres.h, tokens.c, tokens.h, transfor.h, x11win.c
512
Base level of changes for Lee-Richards molecular
513
surfaces.
514
515
[12/01/2005] Clarice Chigbo repres.c, render.c, repres.h
516
Correction to negative torsion angle monitors and to imprecise
517
distance and angle monitors; limits the available range for
518
distance monitors to approximately 327 Angstroms.
519
520
[17/01/2005] Clarice Chigbo script.c
521
Output CPKNEW in scripts
522
523
[04/01/2005] Ricky Chachra command.c
524
Fix to wireframe 0, ribbon 0, cartoon 0, backbone 0,
525
strands 0 and trace 0 commands to work the same as these
526
command with off instead of 0
527
528
[30/10/2004] Mamoru Yamanishi Imakefile, rasmol.c
529
Used xforms to provide GUI for file open under X-windows
530
531
[21/10/2004] Clarice Chigbo tokens.c, tokens.h
532
Define CPKNEW token
533
534
[20/10/2004] Clarice Chigbo transfor.c, transfor.h
535
New CPK color table
536
537
[26/04/2004] HJB cif.c
538
correction to handling of blank immediately following
539
initial quote mark.
540
541
[26/04/2004] HJB vector.c
542
correction to SubtractAtoms for bond rotation.
703
[06/02/2005] HJB
704
Release 2.7.3 created
705
706
[21/01/2005] HJB molecule.c
707
Correct XYZ input by capping atom types. Thanks to
708
Stuart Prescott.
709
710
[16/01/2005] HJB applemac.c, cmndline.c, command.c, command.h,
711
infile.c, langsel.c, langsel.h, langsel_mac.c,
712
molecule.c, molecule.h, mswin31.c, multiple.c,
713
pixutils.c, pixutils.h, rasmac.c, rasmol.c,
714
rastxt.c, raswin.c, render.c, render.h, repres.c,
715
repres.h, tokens.c, tokens.h, transfor.h, x11win.c
716
Base level of changes for Lee-Richards molecular
717
surfaces.
718
719
[12/01/2005] Clarice Chigbo repres.c, render.c, repres.h
720
Correction to negative torsion angle monitors and to imprecise
721
distance and angle monitors; limits the available range for
722
distance monitors to approximately 327 Angstroms.
723
724
[17/01/2005] Clarice Chigbo script.c
725
Output CPKNEW in scripts
726
727
[04/01/2005] Ricky Chachra command.c
728
Fix to wireframe 0, ribbon 0, cartoon 0, backbone 0,
729
strands 0 and trace 0 commands to work the same as these
730
command with off instead of 0
731
732
[30/10/2004] Mamoru Yamanishi Imakefile, rasmol.c
733
Used xforms to provide GUI for file open under X-windows
734
735
[21/10/2004] Clarice Chigbo tokens.c, tokens.h
736
Define CPKNEW token
737
738
[20/10/2004] Clarice Chigbo transfor.c, transfor.h
739
New CPK color table
740
741
[26/04/2004] HJB cif.c
742
correction to handling of blank immediately following
743
initial quote mark.
744
745
[26/04/2004] HJB vector.c
746
correction to SubtractAtoms for bond rotation.
543
747
544
748
</PRE>
545
749
<P>
584
788
<h3>Post-release changes to RasMol 2.7.2.1.1:</h3>
585
789
<PRE>
586
790
587
[07/05/04] HJB mswin31.c
588
restored lost fix for intialization of ZRange and
589
DialValue[8..9] and rebuilt raswin.exe. Thanks to
590
Julien Hering.
591
592
[14/02/04] HJB pixutils.c
593
remove static from declaration of ClipVector.
594
595
[14/02/14] HJB cif_stx.c
596
remove trailing characters from #endif.
597
598
[03/02/04] HJB Makefile.in
599
Change transfer to transfor in 2 dependencies. Thanks
600
to R. Harlow.
791
[07/05/04] HJB mswin31.c
792
restored lost fix for intialization of ZRange and
793
DialValue[8..9] and rebuilt raswin.exe. Thanks to
794
Julien Hering.
795
796
[14/02/04] HJB pixutils.c
797
remove static from declaration of ClipVector.
798
799
[14/02/14] HJB cif_stx.c
800
remove trailing characters from #endif.
801
802
[03/02/04] HJB Makefile.in
803
Change transfer to transfor in 2 dependencies. Thanks
804
to R. Harlow.
601
805
</PRE>
602
806
<P>
603
807
<h3>Changes to RasMol 2.7.2.1 to create RasMol 2.7.2.1.1:</h3>
604
808
<PRE>
605
809
606
[26/01/04] HJB abstree.c
607
Fix warning on sprintf calls with unused args, match long
608
variables with %ld format descriptors.
609
610
[26/01/04] HJB cif.c
611
Add brackets to avoid compiler warnings on dangling elses.
612
Fix cif_lex to parse 'O''' correctly. Change from
613
WORD to CIFWORD to avoid conflict with windows.h.
614
615
[26/01/04] HJB cif.h
616
Change from WORD to CIFWORD to avoid conflict with windows.h.
617
Add prototype for cif_free_handle.
618
619
[26/01/04] HJB cif.stx.tab.c
620
Change from WORD to CIFWORD to avoid conflict with windows.h.
621
622
[26/01/04] HJB cif_ctonum.c
623
Remove unused variable dndec
624
625
[26/01/04] HJB cif_fract.c
626
Remove unused variable kk
627
628
[26/01/04] HJB cif_stx.c
629
Change from WORD to CIFWORD to avoid conflict with windows.h.
630
Add include of rasmol.h.
631
632
[26/01/04] HJB command.c
633
Initialize variables to avoid compiler warnings. Use %ld
634
format for long variables. Fix RotMode == RotBond which
635
should have been an assignment. Add parens on logical
636
expressions.
637
638
[26/01/04] HJB command.h
639
Add prototypes for ResumePauseCommand, InterruptPauseCommand.
640
641
[26/01/04] HJB graphics.h
642
Add include of windows.h
643
644
[26/01/04] HJB infile.c
645
Removed unused ReadValue2. Add brackets to avoid compiler
646
warnings on dangling elses. Initialize variables to avoid
647
compiler warnings.
648
649
[26/01/04] HJB langsel.c langsel_mac.c
650
Add include of string.h
651
652
[26/01/04] HJB molecule.c
653
Add include of graphics.h. Change to %ld format for longs.
654
Remove unused variables. Add brackets to avoid compiler warnings
655
on dangling elses.
656
657
[26/01/04] HJB molecule.h
658
Add prototype of TestDisulphideBridge.
659
660
[26/01/04] HJB multiple.c
661
Fix reversed comment terminator. Add include of string.h. Add
662
brackets to initializer to match structure.
663
664
[26/01/04] HJB multiple.h
665
Add prototype of ReRadius.
666
667
[26/01/04] HJB outfile.c
668
Initialize variables to avoid compiler warnings. Change to %ld
669
for long.
670
671
[26/01/04] HJB pixutils.c
672
Initialize variables to avoid compiler warnings. Removed unused
673
variables.
674
675
[26/01/04] HJB pixutils.h
676
Add prototypes of DrawTwinLine, ClipLine, ClipTwinLine,
677
ClipDashLine, DrawTwinVector, ClipVector, ClipTwinVector,
678
ClipDashVector.
679
680
[26/01/04] HJB rasmol.c
681
Add parens to avoid compiler warning.
682
683
[26/01/04] HJB rasmol.h
684
Set version and date. Add include of stdlib.h for malloc.
685
686
[26/01/04] HJB render.c
687
Change the handling of very long longs to avoid a compiler
688
warning. Use %ld format for longs.
689
690
[26/01/04] HJB repres.c
691
Remove unused variables. Use %ld format for longs. Initialize
692
variables to avoid compiler warnings.
693
694
[26/01/04] HJB repres.h
695
Add prototype of LoadDotsFile.
696
697
[26/01/04] HJB script.c
698
Add include of string.h. Use %ld format for longs. Initialize
699
variables to avoid compiler warnings. Remove unused variables.
700
Fix sign of trailing bits on VRML z coordinates.
701
702
[26/01/04] HJB script.h
703
Add prototype of WritePOVRay3File.
704
705
[26/01/04] HJB tokens.h
706
Add parens in definition of IsImageToken.
707
708
[26/01/04] HJB transfor.c
709
Add parens for logical expression. Remove unused variables.
710
Initialize variables to avoid compiler warnings.
711
712
[26/01/04] HJB transfor.h
713
Add prototype of DefineShade, RMat2RV, RV2RMat.
714
715
[26/01/04] HJB wbrotate.c
716
Add include of cmndline.h. Remove unused variables. Initialize
717
variables to avoid compiler warnings. Use %ld format for longs.
718
Add value for a returns that need them.
810
[26/01/04] HJB abstree.c
811
Fix warning on sprintf calls with unused args, match long
812
variables with %ld format descriptors.
813
814
[26/01/04] HJB cif.c
815
Add brackets to avoid compiler warnings on dangling elses.
816
Fix cif_lex to parse 'O''' correctly. Change from
817
WORD to CIFWORD to avoid conflict with windows.h.
818
819
[26/01/04] HJB cif.h
820
Change from WORD to CIFWORD to avoid conflict with windows.h.
821
Add prototype for cif_free_handle.
822
823
[26/01/04] HJB cif.stx.tab.c
824
Change from WORD to CIFWORD to avoid conflict with windows.h.
825
826
[26/01/04] HJB cif_ctonum.c
827
Remove unused variable dndec
828
829
[26/01/04] HJB cif_fract.c
830
Remove unused variable kk
831
832
[26/01/04] HJB cif_stx.c
833
Change from WORD to CIFWORD to avoid conflict with windows.h.
834
Add include of rasmol.h.
835
836
[26/01/04] HJB command.c
837
Initialize variables to avoid compiler warnings. Use %ld
838
format for long variables. Fix RotMode == RotBond which
839
should have been an assignment. Add parens on logical
840
expressions.
841
842
[26/01/04] HJB command.h
843
Add prototypes for ResumePauseCommand, InterruptPauseCommand.
844
845
[26/01/04] HJB graphics.h
846
Add include of windows.h
847
848
[26/01/04] HJB infile.c
849
Removed unused ReadValue2. Add brackets to avoid compiler
850
warnings on dangling elses. Initialize variables to avoid
851
compiler warnings.
852
853
[26/01/04] HJB langsel.c langsel_mac.c
854
Add include of string.h
855
856
[26/01/04] HJB molecule.c
857
Add include of graphics.h. Change to %ld format for longs.
858
Remove unused variables. Add brackets to avoid compiler warnings
859
on dangling elses.
860
861
[26/01/04] HJB molecule.h
862
Add prototype of TestDisulphideBridge.
863
864
[26/01/04] HJB multiple.c
865
Fix reversed comment terminator. Add include of string.h. Add
866
brackets to initializer to match structure.
867
868
[26/01/04] HJB multiple.h
869
Add prototype of ReRadius.
870
871
[26/01/04] HJB outfile.c
872
Initialize variables to avoid compiler warnings. Change to %ld
873
for long.
874
875
[26/01/04] HJB pixutils.c
876
Initialize variables to avoid compiler warnings. Removed unused
877
variables.
878
879
[26/01/04] HJB pixutils.h
880
Add prototypes of DrawTwinLine, ClipLine, ClipTwinLine,
881
ClipDashLine, DrawTwinVector, ClipVector, ClipTwinVector,
882
ClipDashVector.
883
884
[26/01/04] HJB rasmol.c
885
Add parens to avoid compiler warning.
886
887
[26/01/04] HJB rasmol.h
888
Set version and date. Add include of stdlib.h for malloc.
889
890
[26/01/04] HJB render.c
891
Change the handling of very long longs to avoid a compiler
892
warning. Use %ld format for longs.
893
894
[26/01/04] HJB repres.c
895
Remove unused variables. Use %ld format for longs. Initialize
896
variables to avoid compiler warnings.
897
898
[26/01/04] HJB repres.h
899
Add prototype of LoadDotsFile.
900
901
[26/01/04] HJB script.c
902
Add include of string.h. Use %ld format for longs. Initialize
903
variables to avoid compiler warnings. Remove unused variables.
904
Fix sign of trailing bits on VRML z coordinates.
905
906
[26/01/04] HJB script.h
907
Add prototype of WritePOVRay3File.
908
909
[26/01/04] HJB tokens.h
910
Add parens in definition of IsImageToken.
911
912
[26/01/04] HJB transfor.c
913
Add parens for logical expression. Remove unused variables.
914
Initialize variables to avoid compiler warnings.
915
916
[26/01/04] HJB transfor.h
917
Add prototype of DefineShade, RMat2RV, RV2RMat.
918
919
[26/01/04] HJB wbrotate.c
920
Add include of cmndline.h. Remove unused variables. Initialize
921
variables to avoid compiler warnings. Use %ld format for longs.
922
Add value for a returns that need them.
719
923
720
[26/01/04] HJB x11win.c
721
Initialize variables to avoid compiler warnings. Add brackets to
722
avoid compiler warnings on dangling elses.
723
724
[14/04/02] HJB Imakefile
725
Update to allow scripts to make multiple pixel depths by
726
setting PIXELDEPTH to 8, 16 or 32 externally. Add default
727
flags for various HP architectures.
728
729
[13/04/02] HJB cif.c
730
Reduce warnings by casting uses of size_t.
731
732
[13/04/02] HJB cif_ctonum.c
733
Reduce warnings by casting to int for pointers indptr-test.
734
735
[13/04/02] HJB command.c
736
Reduce warnings by explicit use of long (rather than Long)
737
for fpos, and casting to size_t for comparisons, etc.
738
739
[13/04/02] HJB infile.c
740
In ProcessPDBBond, match types of srcatm and dstatom by
741
changing from int to Long, casting to size_t for
742
comparisons, etc.
743
744
[13/04/02] HJB molecule.c
745
Change MemSize from int to size_t.
746
747
[13/04/02] HJB rasmol.c
748
Change AdviseLen from int to size_t, change socket to xsocket,
749
change __hpux to HPUX_LEGACY
750
751
[13/04/02] HJB rasmol.h
752
Add HPUX_LEGACY for old style hpux select.
753
754
[13/04/02] HJB render.c
755
Make test of sizeof(Long) > 4 conditional on not defining
756
_LONGLONG. Make some changes from Long to long, etc.
757
758
[13/04/02] HJB x11win.c
759
Cast some pointer diffs to int, change some Long to long,
760
etc.
761
762
[29/06/01] HJB command.c
763
Correct logic for inline load of a new molecule from
764
data file treated as a script.
765
766
[21/04/01] HJB all
767
Fix credit for initial Spanish translation. Thanks to
768
E. Martz.
769
770
[19/04/01] HJB command.c
771
Post release fix to handling of load inline in
772
windows version due to problem with STRICT logic.
773
Thanks to Jan Reichert <jr@imb-jena.de> for pointing
774
out the problem.
775
776
[18/04/01] HJB command.c
777
Post release fix to handling of load inline in UCB
778
multiple molecule environment. Thanks to Jan
779
Reichert <jr@imb-jena.de> for pointing out the
780
problem.
924
[26/01/04] HJB x11win.c
925
Initialize variables to avoid compiler warnings. Add brackets to
926
avoid compiler warnings on dangling elses.
927
928
[14/04/02] HJB Imakefile
929
Update to allow scripts to make multiple pixel depths by
930
setting PIXELDEPTH to 8, 16 or 32 externally. Add default
931
flags for various HP architectures.
932
933
[13/04/02] HJB cif.c
934
Reduce warnings by casting uses of size_t.
935
936
[13/04/02] HJB cif_ctonum.c
937
Reduce warnings by casting to int for pointers indptr-test.
938
939
[13/04/02] HJB command.c
940
Reduce warnings by explicit use of long (rather than Long)
941
for fpos, and casting to size_t for comparisons, etc.
942
943
[13/04/02] HJB infile.c
944
In ProcessPDBBond, match types of srcatm and dstatom by
945
changing from int to Long, casting to size_t for
946
comparisons, etc.
947
948
[13/04/02] HJB molecule.c
949
Change MemSize from int to size_t.
950
951
[13/04/02] HJB rasmol.c
952
Change AdviseLen from int to size_t, change socket to xsocket,
953
change __hpux to HPUX_LEGACY
954
955
[13/04/02] HJB rasmol.h
956
Add HPUX_LEGACY for old style hpux select.
957
958
[13/04/02] HJB render.c
959
Make test of sizeof(Long) > 4 conditional on not defining
960
_LONGLONG. Make some changes from Long to long, etc.
961
962
[13/04/02] HJB x11win.c
963
Cast some pointer diffs to int, change some Long to long,
964
etc.
965
966
[29/06/01] HJB command.c
967
Correct logic for inline load of a new molecule from
968
data file treated as a script.
969
970
[21/04/01] HJB all
971
Fix credit for initial Spanish translation. Thanks to
972
E. Martz.
973
974
[19/04/01] HJB command.c
975
Post release fix to handling of load inline in
976
windows version due to problem with STRICT logic.
977
Thanks to Jan Reichert <jr@imb-jena.de> for pointing
978
out the problem.
979
980
[18/04/01] HJB command.c
981
Post release fix to handling of load inline in UCB
982
multiple molecule environment. Thanks to Jan
983
Reichert <jr@imb-jena.de> for pointing out the
984
problem.
781
985
</PRE>
782
986
<P>
783
987
<h3>Changes from RasMol 2.7.1.1 and 2.7.2 to create RasMol 2.7.2.1:</h3>
784
988
<PRE>
785
[14/04/01] HJB script.c
786
Correct error in writing scripts with partial use of spacefill.
787
Thanks to Steven Vik <svik@mail.smu.edu> for reporting the
788
problem.
789
790
[14/04/01] HJB rasmol.doc, itasmol2721.hlp, esrasmol.html
791
Updated manuals for 2.7.2.1.
792
793
[02/04/01] HJB abstree.c, abstree.h
794
Increase space for atom names from 4 to 12 characters.
795
796
[02/04/01] HJB applemac.c
797
Add symbolic ZRange, add 2 dials. See [12/01/01] changes for langsel.
798
799
[02/04/01] HJB cmndline.c, cmndline.h
800
Reworked all exits on mouse motion processing to leave values
801
in DialValues or WRot..., etc depending on RotMode. Made HeldButton
802
a global for future reference.
803
804
[02/04/01] HJB command.c, rasmol.c, rasmac.c, raswin.c
805
Change stereo command to cycle cross-wall-none.
806
807
[02/04/01] HJB command.c, script.c, transfor.c
808
Rework output of rotation information.
809
810
[02/04/01] HJB infile.c
811
Increase limit on atom names for CIF from 4 to 12 characters.
812
813
[02/04/01] HJB langsel.c langsel_mac.c
814
Add French (thanks to Jean-Pierre Demailly
815
<Jean-Pierre.Demailly@ujf-grenoble.fr>) and Italian (Giuseppe Martini
816
<martini@iigb.na.cnr.it> and Giovanni Paolella <paolella@dbbm.unina.it>
817
with contributions by: A. Davassi, M. Masullo, C. Liotto, G. Paolella,
818
G. Martini. Adapt to 2.7.2 menu structure.
819
820
[02/04/01] HJB mswin31.c
821
Removed "Printing Completed" message.
822
823
[02/04/01] HJB multiple.c
824
Save DotPtr to fix misplaced dots in multiple molecules. Save
825
LastTX, LastTY, LastTZ, LocalRadius, ShiftS, XlateCen. Make
826
"Insufficient memory" message be language dependent
827
MsgStrs[StrMalloc]
828
829
[02/04/01] HJB outfile.c, pixutils.c, repres.c
830
Rework backclipping separating ZOffset from new DepthValue,
831
define BitBack
832
833
[02/04/01] HJB tokens.c
834
Added the following tokens relative to 2.7.2, includes tokens
835
added for 2.7.1.1:
836
837
ASSE AxesTok
838
ASSI AxesTok
839
CADENA ChainTok
840
CADENAS ChainTok
841
CATENA ChainTok
842
CATENE ChainTok
843
COPY CopyTok
844
DEPTH DepthTok
845
DIBUJO CartoonTok
846
DIBUJOS CartoonTok
847
E AndTok
848
EJE AxesTok
849
EJES AxesTok
850
ELANCE BondTok
851
ELANCES BondTok
852
ELICHE HelixTok
853
ENGLISH EnglishTok
854
ELICHE HelixTok
855
ESQUELETO BackboneTok
856
ETIQUETA LabelTok
857
ETIQUETAS LabelTok
858
ETICHETTA LabelTok
859
ETICHETTE LabelTok
860
FILODIFERRO WireframeTok
861
FILDIFERRO WireframeTok
862
FILI StrandsTok
863
FRENCH FrenchTok
864
GIRO TurnTok
865
GIROS TurnTok
866
GRUPO GroupTok
867
GRUPPO GroupTok
868
HEBRAS StrandsTok
869
IMAGE ImageTok
870
ITALIAN ItalianTok
871
MOSTRAR DisplayTok
872
NASTRO RibbonTok
873
NASTRI RibbonTok
874
PASTE PasteTok
875
POSITION PositionTok
876
RIEMPIMENTO SpacefillTok
877
SALIR ExitTok
878
SCHELETRO BackboneTok
879
SELECTION SelectionTok
880
SHADEPOWER ShadePowerTok
881
SPANISH SpanishTok
882
TODO AllTok
883
TUTTO AllTok
884
VIEW ViewTok
885
VIGNETTA CartoonTok
886
VISUALIZZA DisplayTok
887
888
[02/04/01] HJB transfor.c
889
Rework interaction of mouse, local rotation and world rotation
890
to make horizontal mouse motion of individual molecule rotate
891
horizontally even when outer world rotation creates a tilt.
892
Restores incremental mouse motion effects similar to what
893
was in effect for 2.7.1, but with world rotations. Reworked
894
RasTop centering to restore 2.7.2 behavior -- defaults to
895
center the new rotation on the screen.
896
897
[02/04/01] HJB several
898
Make dial indices symbolic.
899
900
[02/04/01] HJB wbrotate.c, wbrotate.h
901
Rework interaction of mouse and world rotation to make
902
horizontal mouse motion of individual molecule rotate horizontally
903
even when outer world rotation creates a tilt.
989
[14/04/01] HJB script.c
990
Correct error in writing scripts with partial use of spacefill.
991
Thanks to Steven Vik <svik@mail.smu.edu> for reporting the
992
problem.
993
994
[14/04/01] HJB rasmol.doc, itasmol2721.hlp, esrasmol.html
995
Updated manuals for 2.7.2.1.
996
997
[02/04/01] HJB abstree.c, abstree.h
998
Increase space for atom names from 4 to 12 characters.
999
1000
[02/04/01] HJB applemac.c
1001
Add symbolic ZRange, add 2 dials. See [12/01/01] changes for langsel.
1002
1003
[02/04/01] HJB cmndline.c, cmndline.h
1004
Reworked all exits on mouse motion processing to leave values
1005
in DialValues or WRot..., etc depending on RotMode. Made HeldButton
1006
a global for future reference.
1007
1008
[02/04/01] HJB command.c, rasmol.c, rasmac.c, raswin.c
1009
Change stereo command to cycle cross-wall-none.
1010
1011
[02/04/01] HJB command.c, script.c, transfor.c
1012
Rework output of rotation information.
1013
1014
[02/04/01] HJB infile.c
1015
Increase limit on atom names for CIF from 4 to 12 characters.
1016
1017
[02/04/01] HJB langsel.c langsel_mac.c
1018
Add French (thanks to Jean-Pierre Demailly
1019
<Jean-Pierre.Demailly@ujf-grenoble.fr>) and Italian (Giuseppe Martini
1020
<martini@iigb.na.cnr.it> and Giovanni Paolella <paolella@dbbm.unina.it>
1021
with contributions by: A. Davassi, M. Masullo, C. Liotto, G. Paolella,
1022
G. Martini. Adapt to 2.7.2 menu structure.
1023
1024
[02/04/01] HJB mswin31.c
1025
Removed "Printing Completed" message.
1026
1027
[02/04/01] HJB multiple.c
1028
Save DotPtr to fix misplaced dots in multiple molecules. Save
1029
LastTX, LastTY, LastTZ, LocalRadius, ShiftS, XlateCen. Make
1030
"Insufficient memory" message be language dependent
1031
MsgStrs[StrMalloc]
1032
1033
[02/04/01] HJB outfile.c, pixutils.c, repres.c
1034
Rework backclipping separating ZOffset from new DepthValue,
1035
define BitBack
1036
1037
[02/04/01] HJB tokens.c
1038
Added the following tokens relative to 2.7.2, includes tokens
1039
added for 2.7.1.1:
1040
1041
ASSE AxesTok
1042
ASSI AxesTok
1043
CADENA ChainTok
1044
CADENAS ChainTok
1045
CATENA ChainTok
1046
CATENE ChainTok
1047
COPY CopyTok
1048
DEPTH DepthTok
1049
DIBUJO CartoonTok
1050
DIBUJOS CartoonTok
1051
E AndTok
1052
EJE AxesTok
1053
EJES AxesTok
1054
ELANCE BondTok
1055
ELANCES BondTok
1056
ELICHE HelixTok
1057
ENGLISH EnglishTok
1058
ELICHE HelixTok
1059
ESQUELETO BackboneTok
1060
ETIQUETA LabelTok
1061
ETIQUETAS LabelTok
1062
ETICHETTA LabelTok
1063
ETICHETTE LabelTok
1064
FILODIFERRO WireframeTok
1065
FILDIFERRO WireframeTok
1066
FILI StrandsTok
1067
FRENCH FrenchTok
1068
GIRO TurnTok
1069
GIROS TurnTok
1070
GRUPO GroupTok
1071
GRUPPO GroupTok
1072
HEBRAS StrandsTok
1073
IMAGE ImageTok
1074
ITALIAN ItalianTok
1075
MOSTRAR DisplayTok
1076
NASTRO RibbonTok
1077
NASTRI RibbonTok
1078
PASTE PasteTok
1079
POSITION PositionTok
1080
RIEMPIMENTO SpacefillTok
1081
SALIR ExitTok
1082
SCHELETRO BackboneTok
1083
SELECTION SelectionTok
1084
SHADEPOWER ShadePowerTok
1085
SPANISH SpanishTok
1086
TODO AllTok
1087
TUTTO AllTok
1088
VIEW ViewTok
1089
VIGNETTA CartoonTok
1090
VISUALIZZA DisplayTok
1091
1092
[02/04/01] HJB transfor.c
1093
Rework interaction of mouse, local rotation and world rotation
1094
to make horizontal mouse motion of individual molecule rotate
1095
horizontally even when outer world rotation creates a tilt.
1096
Restores incremental mouse motion effects similar to what
1097
was in effect for 2.7.1, but with world rotations. Reworked
1098
RasTop centering to restore 2.7.2 behavior -- defaults to
1099
center the new rotation on the screen.
1100
1101
[02/04/01] HJB several
1102
Make dial indices symbolic.
1103
1104
[02/04/01] HJB wbrotate.c, wbrotate.h
1105
Rework interaction of mouse and world rotation to make
1106
horizontal mouse motion of individual molecule rotate horizontally
1107
even when outer world rotation creates a tilt.
904
1108
905
1109
</PRE>
906
1110
<P>
908
1112
<P>
909
1113
Note: These mods do not reflect the complete source of RasTop 1.3.
910
1114
<PRE>
911
[31/01/00] PV command.c
912
Added code for selecting atom areas with mouse: changed
913
PickAtom() function name in PickAtoms(); changed PicAtome
914
identifier in PickAtom; added function SelectArea()
915
and DisplayArea(); added code for command "select view"
916
917
[30/01/00] PV command.c <br>
918
Added command "select view" and corresponding code,
919
which allows to select a part of a molecule based on screen display.
920
921
[16/01/00] PV cmndline.c
922
In PerformMouseFunc() corrected MM_CLIP to access clipping with
923
the mouse, added MM_DEPT to access backclipping (depth) with the mouse.
924
925
[16/01/00] PV transfor.h, transfor.c, token.h, token.c, script.c
926
Added ShadePower in DefineColourMap(), which brings some interesting
927
shade variations. Added ShadePowerTok and command "set shade x"
928
with x between -20 to 20.
929
930
[03/01/00] PV transfor.c
931
Fixed bug (and modified) function Power() to handle Specpower
932
933
[12/14/99] PV
934
Added variables ShiftS and UseAutoDepthCue that adjust DepthCue
935
with slabbing.
936
937
[14/12/99] PV transform.c
938
Added function CentreTransform() to either move the origin in the
939
molecule or move the molecule to the origin (origin = True ).
940
Added variables Cenx,y,z, which mesure distance centre-origin.
941
942
[29/09/99] PV molecule.c
943
Fixed bug in FindCisBonds() (no zeroing of last group cisbondflag);
944
Added ability to convert triple bond to single (CreateBondOrder())
945
946
[24/09/99] PV cmndline.c
947
Correlated mouse binding to global variable MouseMode.
948
Removed EnableMenus(state==1) in ResetCommandLine().
949
Fixed mouse binding with INVERT on y values.
950
Fixed bug on capture status on mouse-up. Added MM_PREV
951
to mouse binding for deselection. Fixed INVERT on y
952
value for mouseup.
953
954
[21/09/99] PV command.c, render.h, render.c, transfor.h, transfor.c
955
Added four new picking modes: select an atom: PickAtom; select
956
a group: PickGroup; select a chain: PickChain; modify bonding/add
957
multiple bonds: PickBond. Allowed picking parameter shift = -1
958
when Ctrl key is down to deselect an atom (a group, a chain)
959
from the current selection. [Note by HJB 02/04/01 -- The UCB
960
and 2.7.2 bond picking was used in 2.7.2.1 instead of the
961
RasTop version]
962
963
[22/09/99] PV abstree.h, abstree.c
964
First step for saving atomsets & identifiers in RasMol scripts
965
(SetSize to 100 and SymEntry and SymbolTable in header).
966
967
[21/09/99] PV cif.h
968
Fixed missing declaration of cif_parse in cif.h
969
970
[21/09/99] PV cmndline.c
971
In ProcessCharacter()) added ESC (0x1b) character to interrupt
972
script pausing.
973
974
[21/09/99] PV command.c
975
Changed output for one-letter-code sequence in series of 50
976
characters with a space each subgroup of 10.
1115
[31/01/00] PV command.c
1116
Added code for selecting atom areas with mouse: changed
1117
PickAtom() function name in PickAtoms(); changed PicAtome
1118
identifier in PickAtom; added function SelectArea()
1119
and DisplayArea(); added code for command "select view"
1120
1121
[30/01/00] PV command.c <br>
1122
Added command "select view" and corresponding code,
1123
which allows to select a part of a molecule based on screen display.
1124
1125
[16/01/00] PV cmndline.c
1126
In PerformMouseFunc() corrected MM_CLIP to access clipping with
1127
the mouse, added MM_DEPT to access backclipping (depth) with the mouse.
1128
1129
[16/01/00] PV transfor.h, transfor.c, token.h, token.c, script.c
1130
Added ShadePower in DefineColourMap(), which brings some interesting
1131
shade variations. Added ShadePowerTok and command "set shade x"
1132
with x between -20 to 20.
1133
1134
[03/01/00] PV transfor.c
1135
Fixed bug (and modified) function Power() to handle Specpower
1136
1137
[12/14/99] PV
1138
Added variables ShiftS and UseAutoDepthCue that adjust DepthCue
1139
with slabbing.
1140
1141
[14/12/99] PV transform.c
1142
Added function CentreTransform() to either move the origin in the
1143
molecule or move the molecule to the origin (origin = True ).
1144
Added variables Cenx,y,z, which mesure distance centre-origin.
1145
1146
[29/09/99] PV molecule.c
1147
Fixed bug in FindCisBonds() (no zeroing of last group cisbondflag);
1148
Added ability to convert triple bond to single (CreateBondOrder())
1149
1150
[24/09/99] PV cmndline.c
1151
Correlated mouse binding to global variable MouseMode.
1152
Removed EnableMenus(state==1) in ResetCommandLine().
1153
Fixed mouse binding with INVERT on y values.
1154
Fixed bug on capture status on mouse-up. Added MM_PREV
1155
to mouse binding for deselection. Fixed INVERT on y
1156
value for mouseup.
1157
1158
[21/09/99] PV command.c, render.h, render.c, transfor.h, transfor.c
1159
Added four new picking modes: select an atom: PickAtom; select
1160
a group: PickGroup; select a chain: PickChain; modify bonding/add
1161
multiple bonds: PickBond. Allowed picking parameter shift = -1
1162
when Ctrl key is down to deselect an atom (a group, a chain)
1163
from the current selection. [Note by HJB 02/04/01 -- The UCB
1164
and 2.7.2 bond picking was used in 2.7.2.1 instead of the
1165
RasTop version]
1166
1167
[22/09/99] PV abstree.h, abstree.c
1168
First step for saving atomsets & identifiers in RasMol scripts
1169
(SetSize to 100 and SymEntry and SymbolTable in header).
1170
1171
[21/09/99] PV cif.h
1172
Fixed missing declaration of cif_parse in cif.h
1173
1174
[21/09/99] PV cmndline.c
1175
In ProcessCharacter()) added ESC (0x1b) character to interrupt
1176
script pausing.
1177
1178
[21/09/99] PV command.c
1179
Changed output for one-letter-code sequence in series of 50
1180
characters with a space each subgroup of 10.
977
1181
978
[21/09/99] PV infile.c
979
Compiling problems with RasMol 2.7.1 files (VisualC++ 5.0)
980
- explicited all conversions long to short in infile.c /*casting*/
981
982
[21/09/99] PV pixutils.c
983
Compiling problems with RasMol 2.7.1 files (VisualC++ 5.0)
984
- fixed casting in drawstar() and clipstar() in pixutils.c
985
Set ARCSIZE to 32768 under MSWIN, allowing drawing cylinders with
986
radii up to 250 RasMol Units. Current implementation gives a maximum
987
of 75 RU at maximum zooming. Mac implementation should be verified.
988
989
[14/07/99] PV abstree.c transfor.c
990
(Adapted from RasTop 1.3) Added shortcuts for direct evaluations
991
of atomsets (BuildAtomSet(), SelectZoneExpr()).
992
993
[14/07/99] PV abstree.c, transfor.c
994
Added shortcuts for direct evaluations of atomsets (BuildAtomSet(),
995
SelectZoneExpr()); gain up to 15 seconds of computer time on very
996
large molecules.
997
998
[10/07/99] PV cif.c
999
Fixed memory allocation bug in cif_make_handle
1182
[21/09/99] PV infile.c
1183
Compiling problems with RasMol 2.7.1 files (VisualC++ 5.0)
1184
- explicited all conversions long to short in infile.c /*casting*/
1185
1186
[21/09/99] PV pixutils.c
1187
Compiling problems with RasMol 2.7.1 files (VisualC++ 5.0)
1188
- fixed casting in drawstar() and clipstar() in pixutils.c
1189
Set ARCSIZE to 32768 under MSWIN, allowing drawing cylinders with
1190
radii up to 250 RasMol Units. Current implementation gives a maximum
1191
of 75 RU at maximum zooming. Mac implementation should be verified.
1192
1193
[14/07/99] PV abstree.c transfor.c
1194
(Adapted from RasTop 1.3) Added shortcuts for direct evaluations
1195
of atomsets (BuildAtomSet(), SelectZoneExpr()).
1196
1197
[14/07/99] PV abstree.c, transfor.c
1198
Added shortcuts for direct evaluations of atomsets (BuildAtomSet(),
1199
SelectZoneExpr()); gain up to 15 seconds of computer time on very
1200
large molecules.
1201
1202
[10/07/99] PV cif.c
1203
Fixed memory allocation bug in cif_make_handle
1000
1204
</PRE>
1001
1205
<P>
1002
1206
<h3>Changes from RasMol 2.7.1 to create RasMol 2.7.2:</h3>
1003
1207
<PRE>
1004
[28/08/00] HJB all
1005
Updates to comments, resources, etc for preliminary testing
1006
release.
1007
1008
[21/08/00] HJB abstree.c, abstree.h
1009
Change type Atom to RAtom to avoid conflicts with X.
1010
Offset all uses of xorg, yorg, zorg databse entried with
1011
fxorg, fyorg, fzorg database entries for UCB bond
1012
rotation. Change char* strings to unsigned char* strings
1013
to allow for extra UCB Angstrom and degree symbols.
1014
1015
[21/08/00] HJB applemac.c
1016
Change from use of toolbar settings to use of RotMode.
1017
Add new "Settings" menu.
1018
1019
[21/08/00] HJB cmndline.c
1020
Adapt GSG code from UCB mods for mouse moves, to make
1021
the moves control bond rotation, molecule rotation, or
1022
world rotation, but change from use of toolbar settings
1023
to use of RotMode
1024
1025
[21/08/00] HJB command.c
1026
Add new error message (ErrNoBond) for "Bond for rotation
1027
not picked". Add new parameter for alternate conformer
1028
bond waist radius. Adapt to fxorg, etc. offsets. Adapt
1029
GSG UCB pick bond tool bar button to a command line
1030
command. Add show centre, show rotation, show translation
1031
and show zoom commands. Add bond, unbond commands.
1032
Add rotate bond, rotate molecule, rotate all command.
1033
1034
[21/08/00] HJB command.h
1035
Add space after "__huge"
1036
1037
[21/08/00] HJB font.h
1038
Adapt GSG UCB mods characters for Angstrom and degree to be
1039
additional symbols, not repalcements.
1040
1041
[21/08/00] HJB graphics.h
1042
Add new redraw flag, "RFRotBond" to signal that a bond
1043
rotation is involved, and add it to RFRotate, RFApply and
1044
RFInitial. Add ZRange. Move main X window definitions
1045
into this header to facilitate toolbar development.
1046
1047
[21/08/00] HJB infile.c, infile.h
1048
Change all Atom types to RAtom. Add xorg, etc. offsets
1049
on all coordinate calauclations. Move GroupPool definition
1050
to header.
1051
1052
[21/08/00] HJB molecule.h and all referring files
1053
Change type Atom to RAtom to avoid conflicts with X.
1054
Add fxorg, fyorg, fzorg database entries for UCB bond
1055
rotation offsets.
1056
1057
[21/08/00] HJB multiple.c
1058
Remove all use of the toolbar, converting to menu.
1059
Detect last element of file name string. Update VarList
1060
for current variables. Change to ANSI C prototypes.
1061
Move revised DrawMoleculeList from GSG's UCB toolbar.c
1062
into multiple.c, but drop list only into MolName[].
1063
1064
[21/08/00] HJB wbrotate.c, wbrotate.h
1065
Remove all use of the toolbar, converting to menu.
1066
Change to ANSI C prototypes. Revise bond and world
1067
rotation logic to use full rotation, nor increment,
1068
for improved accuracy. Change Bond rotation logic to
1069
preserve nesting of bonds without changing the original
1070
coordinates. Add database of selected bonds and logic
1071
to add bonds on the fly and remove them.
1072
1073
[21/08/00] HJB vector.c, vector.h
1074
Change to ANSI C prototypes. Replace Vector and Matrix
1075
with their array definitions for clarity.
1076
1077
[27/02/00] HJB transfor.c, transfor.h
1078
Add alternate conformer bond radius to EnableWireFrame
1079
1080
[23/02/00] HJB infile.c
1081
Fix *- for - typo in XYZ and MOL2 input of coordinates
1082
1083
[23/02/00] HJB molecule.c
1084
Fix D2O to DOD mapping. Thanks to Brian W. Beck.
1085
1086
[23/02/00] HJB pixutils.c
1087
New code for alternate conformer bonds.
1088
1089
[23/02/00] HJN raswin.c
1090
Update WinMail entry to WINAPI
1091
1092
[29/01/00] HJB molecule.c
1093
Comment out chain by chain reset of bonding to allow for
1094
het groups after TER at expense of slower bonding.
1095
1096
[29/01/00] HJB mswin31.c
1097
Update printer logic for modern windows specs.
1098
1099
[29/01/00] HJB rasmac.c
1100
Fix reference of monaco font.
1101
1102
[15/07/99] HJB (for AR) raswin.c
1103
Add check for \r. Thanks for Andrew Raine.
1104
1105
[15/07/99] RS raswin.c
1106
Add .ML2 and .SY2 extensions for Sybyl and MOL2.
1208
[28/08/00] HJB all
1209
Updates to comments, resources, etc for preliminary testing
1210
release.
1211
1212
[21/08/00] HJB abstree.c, abstree.h
1213
Change type Atom to RAtom to avoid conflicts with X.
1214
Offset all uses of xorg, yorg, zorg databse entried with
1215
fxorg, fyorg, fzorg database entries for UCB bond
1216
rotation. Change char* strings to unsigned char* strings
1217
to allow for extra UCB Angstrom and degree symbols.
1218
1219
[21/08/00] HJB applemac.c
1220
Change from use of toolbar settings to use of RotMode.
1221
Add new "Settings" menu.
1222
1223
[21/08/00] HJB cmndline.c
1224
Adapt GSG code from UCB mods for mouse moves, to make
1225
the moves control bond rotation, molecule rotation, or
1226
world rotation, but change from use of toolbar settings
1227
to use of RotMode
1228
1229
[21/08/00] HJB command.c
1230
Add new error message (ErrNoBond) for "Bond for rotation
1231
not picked". Add new parameter for alternate conformer
1232
bond waist radius. Adapt to fxorg, etc. offsets. Adapt
1233
GSG UCB pick bond tool bar button to a command line
1234
command. Add show centre, show rotation, show translation
1235
and show zoom commands. Add bond, unbond commands.
1236
Add rotate bond, rotate molecule, rotate all command.
1237
1238
[21/08/00] HJB command.h
1239
Add space after "__huge"
1240
1241
[21/08/00] HJB font.h
1242
Adapt GSG UCB mods characters for Angstrom and degree to be
1243
additional symbols, not repalcements.
1244
1245
[21/08/00] HJB graphics.h
1246
Add new redraw flag, "RFRotBond" to signal that a bond
1247
rotation is involved, and add it to RFRotate, RFApply and
1248
RFInitial. Add ZRange. Move main X window definitions
1249
into this header to facilitate toolbar development.
1250
1251
[21/08/00] HJB infile.c, infile.h
1252
Change all Atom types to RAtom. Add xorg, etc. offsets
1253
on all coordinate calauclations. Move GroupPool definition
1254
to header.
1255
1256
[21/08/00] HJB molecule.h and all referring files
1257
Change type Atom to RAtom to avoid conflicts with X.
1258
Add fxorg, fyorg, fzorg database entries for UCB bond
1259
rotation offsets.
1260
1261
[21/08/00] HJB multiple.c
1262
Remove all use of the toolbar, converting to menu.
1263
Detect last element of file name string. Update VarList
1264
for current variables. Change to ANSI C prototypes.
1265
Move revised DrawMoleculeList from GSG's UCB toolbar.c
1266
into multiple.c, but drop list only into MolName[].
1267
1268
[21/08/00] HJB wbrotate.c, wbrotate.h
1269
Remove all use of the toolbar, converting to menu.
1270
Change to ANSI C prototypes. Revise bond and world
1271
rotation logic to use full rotation, nor increment,
1272
for improved accuracy. Change Bond rotation logic to
1273
preserve nesting of bonds without changing the original
1274
coordinates. Add database of selected bonds and logic
1275
to add bonds on the fly and remove them.
1276
1277
[21/08/00] HJB vector.c, vector.h
1278
Change to ANSI C prototypes. Replace Vector and Matrix
1279
with their array definitions for clarity.
1280
1281
[27/02/00] HJB transfor.c, transfor.h
1282
Add alternate conformer bond radius to EnableWireFrame
1283
1284
[23/02/00] HJB infile.c
1285
Fix *- for - typo in XYZ and MOL2 input of coordinates
1286
1287
[23/02/00] HJB molecule.c
1288
Fix D2O to DOD mapping. Thanks to Brian W. Beck.
1289
1290
[23/02/00] HJB pixutils.c
1291
New code for alternate conformer bonds.
1292
1293
[23/02/00] HJN raswin.c
1294
Update WinMail entry to WINAPI
1295
1296
[29/01/00] HJB molecule.c
1297
Comment out chain by chain reset of bonding to allow for
1298
het groups after TER at expense of slower bonding.
1299
1300
[29/01/00] HJB mswin31.c
1301
Update printer logic for modern windows specs.
1302
1303
[29/01/00] HJB rasmac.c
1304
Fix reference of monaco font.
1305
1306
[15/07/99] HJB (for AR) raswin.c
1307
Add check for \r. Thanks for Andrew Raine.
1308
1309
[15/07/99] RS raswin.c
1310
Add .ML2 and .SY2 extensions for Sybyl and MOL2.
1107
1311
1108
1312
</PRE>
1109
1313
<P>
1114
1318
and the full source of UCB RasMol has not yet been recovered.
1115
1319
<P>
1116
1320
<PRE>
1117
[30/11/95] GSG rasmac.c
1118
Hide command window. Add help screen menu logic. Add hooks to
1119
load multiple molecules. Add toolbar menu to Windows menu. Make
1120
mouse moves control bond rotation, molecule rotation or world
1121
rotation depending on tool bar button choices. Same for scroll
1122
bars.
1123
1124
[29/11/95] GSG applemac.c
1125
Change default background for printing to white.
1126
Hook scroll bar H values to bond angle (BRotValue),
1127
molecule rotation angle (DialValue[1]) or
1128
world rotation angle (WRotValue[1]) depending on
1129
toolbar settings. Hook scroll bar V values to
1130
molecule rotation angle (DialValue[0]) or
1131
world rotation angle (WRotValue[0]) depending on
1132
tool bar settings. Allow file open when less than
1133
MAX_MOLECULES molecules.
1134
1135
[21/08/00] GSG font.h
1136
Add characters for Angstrom and degree as replacements
1137
for vertical bar and tilde.
1138
1139
[16/11/95] GSG render.c, render.h
1140
Add PickBond. Add hooks to draw multiple molecules. Automatically
1141
switch to the molecule of any picked atom. Add monitor for picked
1142
distance, angle or torsion angle.
1143
1144
[14/11/95] GSG transfor.c
1145
Add hooks for bond rotation and global rotation.
1146
1147
[14/11/95] GSG vector.c, vector.h, wbrotate.c, wbrotate.h
1148
New routines introduced with UCB mods to allow for
1149
bond rotations and global rotation.
1150
1151
[14/11/95] GSG infile.c
1152
Add fxorg, fyorg, fxorg for MDL molecule input only.
1153
1154
[14/11/95] GSG molecule.c, molecule.h
1155
Add fxorg, fyorg, fxorg and list of bonds to atom database
1156
for world and bond rotation.
1157
1158
[11/11/95] GSG multiple.c, multiple.h
1159
New routine introduced with UCB mods to allow for
1160
multiple molecules.
1161
1162
[10/11/95] GSG tokens.c,tokens.h
1163
Add MoleculeTok.
1164
1165
[10/11/95] GSG repres.h
1166
Add flag for units to Monitors.
1167
1168
[09/11/95] GSG command.c, command.h
1169
Add hooks for multiple molecules. Log background
1170
status to allow default white print background.
1171
Add molecule command.
1172
1173
[09/11/95] GSG rasmol.c
1174
Add initialisation for multiple molecules.
1321
[30/11/95] GSG rasmac.c
1322
Hide command window. Add help screen menu logic. Add hooks to
1323
load multiple molecules. Add toolbar menu to Windows menu. Make
1324
mouse moves control bond rotation, molecule rotation or world
1325
rotation depending on tool bar button choices. Same for scroll
1326
bars.
1327
1328
[29/11/95] GSG applemac.c
1329
Change default background for printing to white.
1330
Hook scroll bar H values to bond angle (BRotValue),
1331
molecule rotation angle (DialValue[1]) or
1332
world rotation angle (WRotValue[1]) depending on
1333
toolbar settings. Hook scroll bar V values to
1334
molecule rotation angle (DialValue[0]) or
1335
world rotation angle (WRotValue[0]) depending on
1336
tool bar settings. Allow file open when less than
1337
MAX_MOLECULES molecules.
1338
1339
[21/08/00] GSG font.h
1340
Add characters for Angstrom and degree as replacements
1341
for vertical bar and tilde.
1342
1343
[16/11/95] GSG render.c, render.h
1344
Add PickBond. Add hooks to draw multiple molecules. Automatically
1345
switch to the molecule of any picked atom. Add monitor for picked
1346
distance, angle or torsion angle.
1347
1348
[14/11/95] GSG transfor.c
1349
Add hooks for bond rotation and global rotation.
1350
1351
[14/11/95] GSG vector.c, vector.h, wbrotate.c, wbrotate.h
1352
New routines introduced with UCB mods to allow for
1353
bond rotations and global rotation.
1354
1355
[14/11/95] GSG infile.c
1356
Add fxorg, fyorg, fxorg for MDL molecule input only.
1357
1358
[14/11/95] GSG molecule.c, molecule.h
1359
Add fxorg, fyorg, fxorg and list of bonds to atom database
1360
for world and bond rotation.
1361
1362
[11/11/95] GSG multiple.c, multiple.h
1363
New routine introduced with UCB mods to allow for
1364
multiple molecules.
1365
1366
[10/11/95] GSG tokens.c,tokens.h
1367
Add MoleculeTok.
1368
1369
[10/11/95] GSG repres.h
1370
Add flag for units to Monitors.
1371
1372
[09/11/95] GSG command.c, command.h
1373
Add hooks for multiple molecules. Log background
1374
status to allow default white print background.
1375
Add molecule command.
1376
1377
[09/11/95] GSG rasmol.c
1378
Add initialisation for multiple molecules.
1175
1379
1176
1380
1177
1381
</PRE>
1178
1382
<P>
1179
1383
<h3>Changes from RasMol 2.7.1 to create RasMol 2.7.1.1:</h3>
1180
1384
<PRE>
1181
[21/01/01] FGR, HJB langsel.c, langsel_mac.c, mswin.c, applemac.c
1182
Installed translations for Edit menu on mac and PC
1183
provided by Fernando Gabriel Ranea.
1184
1185
[17/01/01] FGR, HJB langsel.c, langsel_mac.c
1186
Corrections to translations by Fernando Gabriel Ranea, installed
1187
by HJB with revisions to menu bar accelerators.
1188
1189
[12/01/01] HJB applemac.c
1190
Added include of langsel.h. Added routine ReWriteStr255 to rewrite
1191
menu bar items in place and tostr255 to convert other menu items
1192
strings to Pascal form for use in SetmenuItemText. Set up
1193
ReDrawWindow to refresh all menu strings and then redraw the menu
1194
bar. Note that the rewrite of the main menu bar is _very_ risky
1195
and may not survive system changes.
1196
1197
[12/01/01] HJB command.c
1198
Added include of langsel.h. Remove redundant ErrorMsg array and Err...
1199
definitions. Change messages to reference MsgStrs. Add English and
1200
Spanish as commands calling SwitchLang.
1201
1202
[12/01/01] HJB infile.c
1203
Fix coordinate typo in load of XYZ and Mol2 molecules.
1204
1205
[12/01/01] HJB langsel.c, langsel_mac.c, langsel.h
1206
New routines to carry multi-lingual translations. Many thanks to
1207
Fernando Gabriel Ranea for the bulk of the Spanish translations,
1208
and for creating the initial Spanish version of RasMol 2.7.1. Note
1209
that langsel.c uses the ANSI character set, while lansel_mac.c uses the
1210
Macintosh character set.
1211
1212
[12/01/01] HJB molecule.c
1213
Added include of langsel.h. Changed messages to reference MsgStrs.
1214
Refixed D2O misparse, which had been previously fixed. Mod had been
1215
lost.
1216
1217
[12/01/01] HJB mswin31.c
1218
Added include of raswin.idm and langsel.h. Included partial update
1219
to printer logic. Added ReDrawWindow as rewrite of menus with
1220
ModifyMenu and RemoveMenu/AppendMenu calls.
1221
1222
[12/01/01] HJB rasmac.c
1223
Added include of langsel.h. Added SwitchLang(English) calls
1224
for initialization to main routine.
1225
1226
[12/01/01] HJB rasmol.c
1227
Add fix for broken math routines by referencing atan2.
1228
1229
[12/01/01] HJB rasmol.h
1230
Added include of langsel.h. Added SwitchLang(English) calls
1231
for initialization to main routine.
1232
1233
[12/01/01] HJB raswin.c
1234
Added include of langsel.h. Changed font of command window to ANSI
1235
character set. Changed most messages to reference MsgStrs. Add
1236
SwitchLang(English) calls for initialization to WinMain.
1237
1238
[12/01/01] HJB x11win.c
1239
Restructured MenuItem and BarItem to make .text, .pos and .len
1240
indirect, so that they can be fetched from MsgStrs, MsgAuxl and
1241
MsgLens. The .pos field is used to specify the character offset
1242
of the acceleration key. The main menu bar may now have non-zero
1243
offsets. All the menu items have been changed to MsgStrs[StrM...]
1244
referecences, and added include of langsel.h. Added ReDrawWindow
1245
simply as a call to ReSizeWindow. This is overkill, but appropriate
1246
for these infrequent calls.
1247
1248
[12/01/01] HJB tokens.h
1249
Added tokens EnglishTok and SpanishTok.
1250
1251
[12/01/01] HJB graphics.h
1252
Added prototype of ReDrawWindow, a system-dependent call to be used
1253
after updating menus on language changes.
1254
1255
[12/01/01] HJB cmndline.c
1256
Added include of langsel.h, changed prompts as follows:
1257
1258
"PDB file name:" MsgStrs[StrPrmtPDB]
1259
"Image file name:" MsgStrs[StrPrmtImg]
1260
"Molecule file name:" MsgStrs[StrPrmtMol]
1261
1262
1263
1264
[12/01/01] HJB tokens.c
1265
Added the following tokens:
1266
1267
CADENA ChainTok
1268
CADENAS ChainTok
1269
DIBUJO CartoonTok
1270
DIBUJOS CartoonTok
1271
E AndTok
1272
EJE AxesTok
1273
EJES AxesTok
1274
ELANCE BondTok
1275
ELANCES BondTok
1276
ENGLISH EnglishTok
1277
ESQUELETO BackboneTok
1278
ETIQUETA LabelTok
1279
ETIQUETAS LabelTok
1280
GIRO TurnTok
1281
GIROS TurnTok
1282
GRUPO GroupTok
1283
HEBRAS StrandsTok
1284
MOSTRAR DisplayTok
1285
SALIR ExitTok
1286
SPANISH SpanishTok
1287
TODO AllTok
1288
1289
1290
[26/12/99] HJB mswin31.c
1291
Do not reset Voxel Data for each chain.
1292
1293
[02/10/99] HJB molecule.c
1294
Update printer logic.
1385
[21/01/01] FGR, HJB langsel.c, langsel_mac.c, mswin.c, applemac.c
1386
Installed translations for Edit menu on mac and PC
1387
provided by Fernando Gabriel Ranea.
1388
1389
[17/01/01] FGR, HJB langsel.c, langsel_mac.c
1390
Corrections to translations by Fernando Gabriel Ranea, installed
1391
by HJB with revisions to menu bar accelerators.
1392
1393
[12/01/01] HJB applemac.c
1394
Added include of langsel.h. Added routine ReWriteStr255 to rewrite
1395
menu bar items in place and tostr255 to convert other menu items
1396
strings to Pascal form for use in SetmenuItemText. Set up
1397
ReDrawWindow to refresh all menu strings and then redraw the menu
1398
bar. Note that the rewrite of the main menu bar is _very_ risky
1399
and may not survive system changes.
1400
1401
[12/01/01] HJB command.c
1402
Added include of langsel.h. Remove redundant ErrorMsg array and Err...
1403
definitions. Change messages to reference MsgStrs. Add English and
1404
Spanish as commands calling SwitchLang.
1405
1406
[12/01/01] HJB infile.c
1407
Fix coordinate typo in load of XYZ and Mol2 molecules.
1408
1409
[12/01/01] HJB langsel.c, langsel_mac.c, langsel.h
1410
New routines to carry multi-lingual translations. Many thanks to
1411
Fernando Gabriel Ranea for the bulk of the Spanish translations,
1412
and for creating the initial Spanish version of RasMol 2.7.1. Note
1413
that langsel.c uses the ANSI character set, while lansel_mac.c uses the
1414
Macintosh character set.
1415
1416
[12/01/01] HJB molecule.c
1417
Added include of langsel.h. Changed messages to reference MsgStrs.
1418
Refixed D2O misparse, which had been previously fixed. Mod had been
1419
lost.
1420
1421
[12/01/01] HJB mswin31.c
1422
Added include of raswin.idm and langsel.h. Included partial update
1423
to printer logic. Added ReDrawWindow as rewrite of menus with
1424
ModifyMenu and RemoveMenu/AppendMenu calls.
1425
1426
[12/01/01] HJB rasmac.c
1427
Added include of langsel.h. Added SwitchLang(English) calls
1428
for initialization to main routine.
1429
1430
[12/01/01] HJB rasmol.c
1431
Add fix for broken math routines by referencing atan2.
1432
1433
[12/01/01] HJB rasmol.h
1434
Added include of langsel.h. Added SwitchLang(English) calls
1435
for initialization to main routine.
1436
1437
[12/01/01] HJB raswin.c
1438
Added include of langsel.h. Changed font of command window to ANSI
1439
character set. Changed most messages to reference MsgStrs. Add
1440
SwitchLang(English) calls for initialization to WinMain.
1441
1442
[12/01/01] HJB x11win.c
1443
Restructured MenuItem and BarItem to make .text, .pos and .len
1444
indirect, so that they can be fetched from MsgStrs, MsgAuxl and
1445
MsgLens. The .pos field is used to specify the character offset
1446
of the acceleration key. The main menu bar may now have non-zero
1447
offsets. All the menu items have been changed to MsgStrs[StrM...]
1448
referecences, and added include of langsel.h. Added ReDrawWindow
1449
simply as a call to ReSizeWindow. This is overkill, but appropriate
1450
for these infrequent calls.
1451
1452
[12/01/01] HJB tokens.h
1453
Added tokens EnglishTok and SpanishTok.
1454
1455
[12/01/01] HJB graphics.h
1456
Added prototype of ReDrawWindow, a system-dependent call to be used
1457
after updating menus on language changes.
1458
1459
[12/01/01] HJB cmndline.c
1460
Added include of langsel.h, changed prompts as follows:
1461
1462
"PDB file name:" MsgStrs[StrPrmtPDB]
1463
"Image file name:" MsgStrs[StrPrmtImg]
1464
"Molecule file name:" MsgStrs[StrPrmtMol]
1465
1466
1467
1468
[12/01/01] HJB tokens.c
1469
Added the following tokens:
1470
1471
CADENA ChainTok
1472
CADENAS ChainTok
1473
DIBUJO CartoonTok
1474
DIBUJOS CartoonTok
1475
E AndTok
1476
EJE AxesTok
1477
EJES AxesTok
1478
ELANCE BondTok
1479
ELANCES BondTok
1480
ENGLISH EnglishTok
1481
ESQUELETO BackboneTok
1482
ETIQUETA LabelTok
1483
ETIQUETAS LabelTok
1484
GIRO TurnTok
1485
GIROS TurnTok
1486
GRUPO GroupTok
1487
HEBRAS StrandsTok
1488
MOSTRAR DisplayTok
1489
SALIR ExitTok
1490
SPANISH SpanishTok
1491
TODO AllTok
1492
1493
1494
[26/12/99] HJB mswin31.c
1495
Do not reset Voxel Data for each chain.
1496
1497
[02/10/99] HJB molecule.c
1498
Update printer logic.
1295
1499
</PRE>
1296
1500
<P>
1297
1501
<h3>Changes from RasMol 2.7.0 to RasMol 2.7.1.1 include:</h3>
1323
1527
<P>
1324
1528
<h3>Changes from RasMol 2.7.0.1 to create RasMol 2.7.1:</h3>
1325
1529
<PRE>
1326
[15/07/99] HJB documentation
1327
Add Dunix binaries. Thanks to David Atkinson
1328
1329
[06/07/99] HJB all
1330
Release 2.7.1
1331
1332
[05/07/99] HJB documentation
1333
Cut-off date for Release 2.7.1 documentation changes.
1334
1335
[22/06/99] HJB all source
1336
Cut-off date for Release 2.7.1 code changes.
1337
1338
[22/06/99] HJB command.c
1339
Save fact that a data file was loaded inline. Add
1340
processing for star command, all new options for
1341
bondmode [all | none | not bonded ]
1342
1343
[22/06/99] HJB infile.c
1344
Update DataFileFormat after autorecognition.
1345
1346
[22/06/99] HJB molecule.h
1347
Add MarkAtoms to hold new bondmode flags.
1348
1349
[22/06/99] HJB pixutils.c, render.c
1350
Add code for new star command.
1351
1352
[22/06/99] HJB script.c
1353
Add logic to write star command output. Report data
1354
loaded as CIF or as inline correctly. Warn users
1355
that inline data is not being written out. Check
1356
inversion of Y-axis on POVRAY3. Thanks to Curt
1357
Haltiwanger for suggesting marking non-bonded atoms
1358
on wireframe displays.
1359
1360
[22/06/99] HJB transfor.c
1361
Add code for new star command, new bondmode options.
1362
1363
[18/06/99] HJB pixutils.h, pixutils.c
1364
Change name of DisplayString to DisplayRasString to
1365
avoid a conflict with X libraries. Add FontWid array
1366
to hold character widths (FontSize for FS, FontSize/4
1367
+1 + maximum x position for PS). Add FontStroke logic to
1368
write cylinders instead of lines when FontStroke is not
1369
zero.
1370
1371
[18/06/99] HJB render.c
1372
Change name of DisplayString to DisplayRasString to
1373
avoid a conflict with X libraries.
1374
1375
[18/06/99] HJB repres.c
1376
When FonstStroke is non-zero, don't offset character
1377
color by (ColourMask>>1), to allow room for color
1378
adjustments in cylinder drawing.
1379
1380
[18/06/99] HJB script.c
1381
Add logic to write PS flag for proportional spacing
1382
on set fontsize, and logic to write set fontstroke n.
1383
1384
[18/06/99] HJB tokens.c, tokens.h
1385
Add tokens for BlueTint (BlueTintTok), Brown (BrownTok),
1386
FontStroke (FontStrokeTok), FS (FSTok), Gold (GoldTok),
1387
Gray or Grey (GrayTok), GreenTint (GreenTintTok), HotPink
1388
(HotPinkTok), Pick as an alternative for Picking
1389
(PickingTok), Pink (PinkTok), PinkTint (PinktintTok),
1390
SeaGreen (SeaGreenTok), SkyBlue (SlyBlueTok),
1391
YellowTint (YellowTintTok)
1392
1393
[13/06/99] HJB command.c
1394
Change processing of load inline command to work from
1395
the currently opened script, saving the file position.
1396
Accept HEADER and DATA_... as commands in a script,
1397
processing that line and all subsequent lines as a
1398
data file, unless a prior load inline command was already
1399
done
1400
1401
[12/06/99] HJB infile.c
1402
When processing a PDB file, test for DATA_... until
1403
a non-comment, non-blank line is found. Revert
1404
to CIF processing if DATA_... is found.
1405
1406
[11/06/99] HJB infile.c
1407
In PDB format input extract EXPDTA for Info.technique.
1408
In CIF format input accept _audit_block_code for the
1409
entry ID, _exptl.method, _diffrn_radiation.probe or
1410
_diffrn_radiation_probe for Info.technique. Preserve
1411
low order bits of coordinates in xtrl, yrtl, ztrl. On
1412
PDB output, report Info.technique in EXPDTA and reinsert
1413
low-order bits for coordinates.
1414
1415
[10/06/99] HJB abstree.c
1416
Add code to report coordinates for show selected cordinates
1417
1418
[10/06/99] HJB command.c
1419
Recognize new commands, picking coordinates,
1420
show selected cordinates. Update default title produced
1421
by title command.
1422
1423
[10/06/99] HJB molecule.h
1424
Add new Info fields for date and technique. Extend
1425
identcode to 80 columns. Add CRD to Selection enum type.
1426
Add prototype for ReviseTitle.
1427
1428
[10/06/99] HJB render.h, render.c
1429
Add code to report coordinates for picking coordinates,
1430
define PickCoord symbol.
1431
1432
[10/06/99] HJB tokens.h, tokens.c
1433
Add code recognize COORD, COORDS, COORDINATE, COORDINATES for
1434
new CoordTok, DATA_... for CIFDataTok, HEADER for HeaderTok
1435
1436
[09/06/99] HJB molecule.c
1437
Put PDB entry ID and EXPDTA info into canvas title, report
1438
EXPDTA data from Info.technique on reading file.
1439
1440
[06/06/99] HJB infile.c
1441
Restore the origin on PDB and other outputs.
1442
1443
[06/06/99] HJB script.c
1444
Change script output to include centering and
1445
change various coordinate outputs to restore
1446
origins the z-axis orientation.
1447
1448
[06/06/99] HJB command.c
1449
Add command centre [CenX,CenY,CenZ] to center by offsets
1450
from centre of gravity.
1451
1452
[03/06/99] HJB render.c
1453
Remove call to TranslateToCentre, hold centering
1454
in CenX, CenY and CenZ, decoupled from dials,
1455
add RFRotate to ReDrawFlag on centering. Thanks to
1456
Bohdan Schneider for pointing out the problems with
1457
centering.
1458
1459
[03/06/99] HJB transfor.c
1460
Remove TranslateToCentre, remove processing of CenX,
1461
CenY and CenZ from dial values, and put it into
1462
computation of ptr->x,y,z
1530
[15/07/99] HJB documentation
1531
Add Dunix binaries. Thanks to David Atkinson
1532
1533
[06/07/99] HJB all
1534
Release 2.7.1
1535
1536
[05/07/99] HJB documentation
1537
Cut-off date for Release 2.7.1 documentation changes.
1538
1539
[22/06/99] HJB all source
1540
Cut-off date for Release 2.7.1 code changes.
1541
1542
[22/06/99] HJB command.c
1543
Save fact that a data file was loaded inline. Add
1544
processing for star command, all new options for
1545
bondmode [all | none | not bonded ]
1546
1547
[22/06/99] HJB infile.c
1548
Update DataFileFormat after autorecognition.
1549
1550
[22/06/99] HJB molecule.h
1551
Add MarkAtoms to hold new bondmode flags.
1552
1553
[22/06/99] HJB pixutils.c, render.c
1554
Add code for new star command.
1555
1556
[22/06/99] HJB script.c
1557
Add logic to write star command output. Report data
1558
loaded as CIF or as inline correctly. Warn users
1559
that inline data is not being written out. Check
1560
inversion of Y-axis on POVRAY3. Thanks to Curt
1561
Haltiwanger for suggesting marking non-bonded atoms
1562
on wireframe displays.
1563
1564
[22/06/99] HJB transfor.c
1565
Add code for new star command, new bondmode options.
1566
1567
[18/06/99] HJB pixutils.h, pixutils.c
1568
Change name of DisplayString to DisplayRasString to
1569
avoid a conflict with X libraries. Add FontWid array
1570
to hold character widths (FontSize for FS, FontSize/4
1571
+1 + maximum x position for PS). Add FontStroke logic to
1572
write cylinders instead of lines when FontStroke is not
1573
zero.
1574
1575
[18/06/99] HJB render.c
1576
Change name of DisplayString to DisplayRasString to
1577
avoid a conflict with X libraries.
1578
1579
[18/06/99] HJB repres.c
1580
When FonstStroke is non-zero, don't offset character
1581
color by (ColourMask>>1), to allow room for color
1582
adjustments in cylinder drawing.
1583
1584
[18/06/99] HJB script.c
1585
Add logic to write PS flag for proportional spacing
1586
on set fontsize, and logic to write set fontstroke n.
1587
1588
[18/06/99] HJB tokens.c, tokens.h
1589
Add tokens for BlueTint (BlueTintTok), Brown (BrownTok),
1590
FontStroke (FontStrokeTok), FS (FSTok), Gold (GoldTok),
1591
Gray or Grey (GrayTok), GreenTint (GreenTintTok), HotPink
1592
(HotPinkTok), Pick as an alternative for Picking
1593
(PickingTok), Pink (PinkTok), PinkTint (PinktintTok),
1594
SeaGreen (SeaGreenTok), SkyBlue (SlyBlueTok),
1595
YellowTint (YellowTintTok)
1596
1597
[13/06/99] HJB command.c
1598
Change processing of load inline command to work from
1599
the currently opened script, saving the file position.
1600
Accept HEADER and DATA_... as commands in a script,
1601
processing that line and all subsequent lines as a
1602
data file, unless a prior load inline command was already
1603
done
1604
1605
[12/06/99] HJB infile.c
1606
When processing a PDB file, test for DATA_... until
1607
a non-comment, non-blank line is found. Revert
1608
to CIF processing if DATA_... is found.
1609
1610
[11/06/99] HJB infile.c
1611
In PDB format input extract EXPDTA for Info.technique.
1612
In CIF format input accept _audit_block_code for the
1613
entry ID, _exptl.method, _diffrn_radiation.probe or
1614
_diffrn_radiation_probe for Info.technique. Preserve
1615
low order bits of coordinates in xtrl, yrtl, ztrl. On
1616
PDB output, report Info.technique in EXPDTA and reinsert
1617
low-order bits for coordinates.
1618
1619
[10/06/99] HJB abstree.c
1620
Add code to report coordinates for show selected cordinates
1621
1622
[10/06/99] HJB command.c
1623
Recognize new commands, picking coordinates,
1624
show selected cordinates. Update default title produced
1625
by title command.
1626
1627
[10/06/99] HJB molecule.h
1628
Add new Info fields for date and technique. Extend
1629
identcode to 80 columns. Add CRD to Selection enum type.
1630
Add prototype for ReviseTitle.
1631
1632
[10/06/99] HJB render.h, render.c
1633
Add code to report coordinates for picking coordinates,
1634
define PickCoord symbol.
1635
1636
[10/06/99] HJB tokens.h, tokens.c
1637
Add code recognize COORD, COORDS, COORDINATE, COORDINATES for
1638
new CoordTok, DATA_... for CIFDataTok, HEADER for HeaderTok
1639
1640
[09/06/99] HJB molecule.c
1641
Put PDB entry ID and EXPDTA info into canvas title, report
1642
EXPDTA data from Info.technique on reading file.
1643
1644
[06/06/99] HJB infile.c
1645
Restore the origin on PDB and other outputs.
1646
1647
[06/06/99] HJB script.c
1648
Change script output to include centering and
1649
change various coordinate outputs to restore
1650
origins the z-axis orientation.
1651
1652
[06/06/99] HJB command.c
1653
Add command centre [CenX,CenY,CenZ] to center by offsets
1654
from centre of gravity.
1655
1656
[03/06/99] HJB render.c
1657
Remove call to TranslateToCentre, hold centering
1658
in CenX, CenY and CenZ, decoupled from dials,
1659
add RFRotate to ReDrawFlag on centering. Thanks to
1660
Bohdan Schneider for pointing out the problems with
1661
centering.
1662
1663
[03/06/99] HJB transfor.c
1664
Remove TranslateToCentre, remove processing of CenX,
1665
CenY and CenZ from dial values, and put it into
1666
computation of ptr->x,y,z
1463
1667
</PRE>
1464
1668
<P>
1465
1669
<h3>Changes after release of RasMol_2.7.0.1:</h3>
1466
1670
<PRE>
1467
[27/04/99] HJB README.html, Changelog.html, INSTALL.html, manual
1468
Add navigation links at top and bottom of each page.
1469
Add links for gzipped versions of raswin.hlp, rasmol.hlp.
1470
Thanks to E. Martz and Kjeld Olesen.
1671
[27/04/99] HJB README.html, Changelog.html, INSTALL.html, manual
1672
Add navigation links at top and bottom of each page.
1673
Add links for gzipped versions of raswin.hlp, rasmol.hlp.
1674
Thanks to E. Martz and Kjeld Olesen.
1471
1675
1472
[27/04/99] HJB INSTALL.html, manual
1473
Replace empty copy of INSTALL.html in doc/, correct
1474
embedded html in manual. Thanks to Kurt Giles.
1676
[27/04/99] HJB INSTALL.html, manual
1677
Replace empty copy of INSTALL.html in doc/, correct
1678
embedded html in manual. Thanks to Kurt Giles.
1475
1679
</PRE>
1476
1680
<P>
1477
1681
<h3>Changes from RasMol_2.7.0 to create RasMol_2.7.0.1:</h3>
1478
1682
<PRE>
1479
1683
1480
[22/04/99] HJB
1481
Announce RasMol 2.7.0.1 on pdb-l@rcsb.org,
1482
rasmol@lists.umass.edu, mmciflist@ndbdev.rutgers.edu
1483
1484
[11/04/99] HJB *.c, *.h
1485
Update all comment blocks for new version and date
1486
1487
[11/04/99] HJB abstree.h
1488
Realign Pred... to agree with ...Tok to correct
1489
misaligned introduced by HJB (not AM) during merge of 2.6x1
1490
into 2.7.0.
1491
1492
[11/04/99] HJB tokens.h
1493
Fix definition of IsPredTok
1494
1495
[09/04/99] HJB molecule,h
1496
Make residue identification case-insensitive.
1684
[22/04/99] HJB
1685
Announce RasMol 2.7.0.1 on pdb-l@rcsb.org,
1686
rasmol@lists.umass.edu, mmciflist@ndbdev.rutgers.edu
1687
1688
[11/04/99] HJB *.c, *.h
1689
Update all comment blocks for new version and date
1690
1691
[11/04/99] HJB abstree.h
1692
Realign Pred... to agree with ...Tok to correct
1693
misaligned introduced by HJB (not AM) during merge of 2.6x1
1694
into 2.7.0.
1695
1696
[11/04/99] HJB tokens.h
1697
Fix definition of IsPredTok
1698
1699
[09/04/99] HJB molecule,h
1700
Make residue identification case-insensitive.
1497
1701
1498
1702
1499
1703
</PRE>
1501
1705
create RasMol_2.7.0:</h3>
1502
1706
1503
1707
<PRE>
1504
[30/03/99] HJB all
1505
Cleanup and release of version 2.7.0
1506
1507
[23/03/99] HJB abstree.c
1508
Add code to select on alternate conformers. Increase
1509
accuracy of torsion angle calculation.
1510
1511
[23/03/99] HJB command.c, command.h
1512
Make InitHelpFile generally available, change to
1513
WriteString for reporting CisBondCutOff for use on mac,
1514
report models on show selected.
1515
1516
[23/03/99] HJB rasmol.c, raswin.c, rasmac.c
1517
Add suggestion for help notice to initial text lines.
1518
1519
[23/03/99] HJB script.c
1520
In order to support mac introduce WriteBuffer and
1521
change all fprintf(outFile, ... to WriteBuffer, provide
1522
code from fisipl for Ramachandran printer plot. Handle
1523
signs of torsion angles. Thanks to F. C. Bernstein.
1524
1525
[23/03/99] HJB tokens.h, tokens.c
1526
Add RamPrintTok, RPP, RDF, etc., hook POVRAY3 to the
1527
new POVray code.
1528
1529
[20/03/99] HJB *.h, *.c
1530
In general, the RasMol_2.6_CIF.2 version was used as a base
1531
and upgraded with the RasMol_2.6.4 changes. The exceptions
1532
are below
1533
1534
[20/03/99] HJB infile.c
1535
Cell parameters are read with the double routine ReadDecValue
1536
from 2.6_CIF.2, rather than ReadValue2 from 2.6.4
1708
[30/03/99] HJB all
1709
Cleanup and release of version 2.7.0
1710
1711
[23/03/99] HJB abstree.c
1712
Add code to select on alternate conformers. Increase
1713
accuracy of torsion angle calculation.
1714
1715
[23/03/99] HJB command.c, command.h
1716
Make InitHelpFile generally available, change to
1717
WriteString for reporting CisBondCutOff for use on mac,
1718
report models on show selected.
1719
1720
[23/03/99] HJB rasmol.c, raswin.c, rasmac.c
1721
Add suggestion for help notice to initial text lines.
1722
1723
[23/03/99] HJB script.c
1724
In order to support mac introduce WriteBuffer and
1725
change all fprintf(outFile, ... to WriteBuffer, provide
1726
code from fisipl for Ramachandran printer plot. Handle
1727
signs of torsion angles. Thanks to F. C. Bernstein.
1728
1729
[23/03/99] HJB tokens.h, tokens.c
1730
Add RamPrintTok, RPP, RDF, etc., hook POVRAY3 to the
1731
new POVray code.
1732
1733
[20/03/99] HJB *.h, *.c
1734
In general, the RasMol_2.6_CIF.2 version was used as a base
1735
and upgraded with the RasMol_2.6.4 changes. The exceptions
1736
are below
1737
1738
[20/03/99] HJB infile.c
1739
Cell parameters are read with the double routine ReadDecValue
1740
from 2.6_CIF.2, rather than ReadValue2 from 2.6.4
1537
1741
1538
1742
1539
1743
</PRE>
1540
1744
1541
1745
<h3>Changes from RasMol_2.6 to create RasMol_2.6x1:</h3>
1542
1746
<PRE>
1543
[15/2/98] AM abstree.c, abstree.h
1544
Add PredCisBond, DescribeObj, CalcPhiAngle, CalcPsiAngle,
1545
CalcOmegaAngle, shift torsion angle calculations 180
1546
degrees.
1547
1548
[15/2/98] AM command.c
1549
Add FindCisBonds, CisBondCutOff, show of selected chains,
1550
groups, atoms, show and write of phi-psi angles
1551
1552
[15/2/98] AM molecule.h, molecule.c
1553
Add CIS bond logic
1554
1555
[15/2/98] AM rasmol.h, rasmol.c
1556
Add USE_FD_SET_TYPE option
1557
1558
[15/2/98] AM script.h, script.c
1559
Add WritePhiPsiAngles, code for POV-Ray version 3
1560
1561
1562
[15/2/98] AM tokens.h
1563
Add CisBondedTok, RamachanTok, CisAngleTok, PhiPsiTok,
1564
define PHIPSI, CISANGLE, RAMACHAN, CISBONDED
1747
[15/2/98] AM abstree.c, abstree.h
1748
Add PredCisBond, DescribeObj, CalcPhiAngle, CalcPsiAngle,
1749
CalcOmegaAngle, shift torsion angle calculations 180
1750
degrees.
1751
1752
[15/2/98] AM command.c
1753
Add FindCisBonds, CisBondCutOff, show of selected chains,
1754
groups, atoms, show and write of phi-psi angles
1755
1756
[15/2/98] AM molecule.h, molecule.c
1757
Add CIS bond logic
1758
1759
[15/2/98] AM rasmol.h, rasmol.c
1760
Add USE_FD_SET_TYPE option
1761
1762
[15/2/98] AM script.h, script.c
1763
Add WritePhiPsiAngles, code for POV-Ray version 3
1764
1765
1766
[15/2/98] AM tokens.h
1767
Add CisBondedTok, RamachanTok, CisAngleTok, PhiPsiTok,
1768
define PHIPSI, CISANGLE, RAMACHAN, CISBONDED
1565
1769
</PRE>
1566
1770
1567
1771
<h3>Changes from RasMol_2.6 to create RasMol_2.6.4:</h3>
1568
1772
<PRE>
1569
[8/2/99] RS command.c, rasmol.c, scripts.c, rastxt.c, raswin.c
1570
rasmac.c
1571
Final fixup and release of version 2.6.4
1572
1573
[27/12/98] RS *.h, *.c
1574
Remove all non-ANSI-C prototypes and ensure use of ( void )
1575
for empty argument lists. Upgrade all procedure delcarations.
1576
Convert to use of MSWIN.
1577
1578
[27/12/98] RS abstree.c
1579
Redo torsion angel calculation.
1580
1581
1582
[27/12/98] RS applemac.c
1583
Convert to Apple's new routine names
1584
1585
[27/12/98] RS cmndline.c, cmndline.h
1586
New routine for mouse, keyboard, dials
1587
1588
[27/12/98] RS command.c, command.h
1589
Move routines for mouse, keyboard, dials to cmndline.c.
1590
Redo ParseColour. Reorganize command parsing
1591
1592
[27/12/98] RS infile.c
1593
Change references to MMIO to MMIOLIB. Pass fp and buffer
1594
to FetchRecord as argument. Add ReadValue2, ProcessPDBBond,
1595
ProcessPDBUnitCell. Fix recognition of END. Use
1596
InvalidateCmndline and UnusedArgument. Write MODEL and
1597
ENDMDL records when appropriate
1598
1599
[27/12/98] RS molecule.c
1600
Reorganize FindResNo as a character-oriented search tree
1601
Add Cache.
1602
1603
[27/12/98] RS rasmac.c
1604
Convert to Apple's new routine names
1605
1606
[27/12/98] RS rastxt.c
1607
New text-only main program
1608
1609
[27/12/98] RS repres.c
1610
Add LabelTermnii
1611
1612
[27/12/98] RS tranfor.c
1613
Add TranslateToCentre
1614
1615
[27/12/98] RS transfor.h
1616
Reorganize the logic defining DefaultAmbient, making
1617
the default value 0.4 instead of 0.6, except for E&S, which
1618
is still .05.
1619
1620
[27/12/98] RS tokens.c
1621
New routine for character-oriented search tree for tokens.
1622
1623
[01/08/97] RS infile.c
1624
Decreased the maximum valid alpha carbon to alpha carbon
1625
distance to 4.2 Angstroms from 7.0 Angstroms. Thanks to
1626
Kostas Sfyrakis and Harren Jhoti.
1627
1628
[15/04/97] RS molecule.c repres.c
1629
Fixed a bizarre feature in the OpenVMS compiler that complained
1630
about "a=*b" as "=*" operator is an obsoltete form and may not
1631
be portable. Special thanks to Remington Stone.
1632
1633
[28/11/96] RS rasmol.h rasmol.c
1634
Several minor fixes to compile RasMol under VMS. Special
1635
thanks to Adam Ralph (and CCP4).
1773
[8/2/99] RS command.c, rasmol.c, scripts.c, rastxt.c, raswin.c
1774
rasmac.c
1775
Final fixup and release of version 2.6.4
1776
1777
[27/12/98] RS *.h, *.c
1778
Remove all non-ANSI-C prototypes and ensure use of ( void )
1779
for empty argument lists. Upgrade all procedure delcarations.
1780
Convert to use of MSWIN.
1781
1782
[27/12/98] RS abstree.c
1783
Redo torsion angel calculation.
1784
1785
1786
[27/12/98] RS applemac.c
1787
Convert to Apple's new routine names
1788
1789
[27/12/98] RS cmndline.c, cmndline.h
1790
New routine for mouse, keyboard, dials
1791
1792
[27/12/98] RS command.c, command.h
1793
Move routines for mouse, keyboard, dials to cmndline.c.
1794
Redo ParseColour. Reorganize command parsing
1795
1796
[27/12/98] RS infile.c
1797
Change references to MMIO to MMIOLIB. Pass fp and buffer
1798
to FetchRecord as argument. Add ReadValue2, ProcessPDBBond,
1799
ProcessPDBUnitCell. Fix recognition of END. Use
1800
InvalidateCmndline and UnusedArgument. Write MODEL and
1801
ENDMDL records when appropriate
1802
1803
[27/12/98] RS molecule.c
1804
Reorganize FindResNo as a character-oriented search tree
1805
Add Cache.
1806
1807
[27/12/98] RS rasmac.c
1808
Convert to Apple's new routine names
1809
1810
[27/12/98] RS rastxt.c
1811
New text-only main program
1812
1813
[27/12/98] RS repres.c
1814
Add LabelTermnii
1815
1816
[27/12/98] RS tranfor.c
1817
Add TranslateToCentre
1818
1819
[27/12/98] RS transfor.h
1820
Reorganize the logic defining DefaultAmbient, making
1821
the default value 0.4 instead of 0.6, except for E&S, which
1822
is still .05.
1823
1824
[27/12/98] RS tokens.c
1825
New routine for character-oriented search tree for tokens.
1826
1827
[01/08/97] RS infile.c
1828
Decreased the maximum valid alpha carbon to alpha carbon
1829
distance to 4.2 Angstroms from 7.0 Angstroms. Thanks to
1830
Kostas Sfyrakis and Harren Jhoti.
1831
1832
[15/04/97] RS molecule.c repres.c
1833
Fixed a bizarre feature in the OpenVMS compiler that complained
1834
about "a=*b" as "=*" operator is an obsoltete form and may not
1835
be portable. Special thanks to Remington Stone.
1836
1837
[28/11/96] RS rasmol.h rasmol.c
1838
Several minor fixes to compile RasMol under VMS. Special
1839
thanks to Adam Ralph (and CCP4).
1636
1840
1637
1841
</PRE>
1638
1842
<h3>Changes from RasMol_2.6_CIF(Rev 1) to create RasMol_2.6_CIF(Rev 2):</h3>
1639
1843
<PRE>
1640
[24/2/99] HJB Release of RasMol_2.6_CIF(Rev 2) at
1641
http://www/bernstein-plus-sons.com/software/rasmol
1642
and announce to mailing lists.
1643
1644
[21/2/99] HJB cif.h
1645
Add prototypes of cif_make_handle, cif_read_file,
1646
cif_make_file, cif_save_character to avoid compiler warnings
1647
1648
[21/2/99] HJB cif_ctonum.c
1649
Remove unneeded values.h
1650
1651
[21/2/99] HJB cif_ctonum.h
1652
Correct prototype
1653
1654
[21/2/99] HJB infile.c
1655
Add cif_ctonum.h, define LoadCIFMolecule prototype,
1656
initialize ch, add return to avoid compiler warnings.
1657
1658
[21/2/99] HJB abstree.c, cif.c, cif_ctonum.c, command.c,
1659
infile.c, molecule.c
1660
Use string_case.h instead of <strings.h> for IBMPC,
1661
VMS and APPLEMAC.
1662
1663
[21/2/99] HJB rasmol.h
1664
Update version, add some definitions from R. Sayle's
1665
2.6.4 in preparation for 2.7.0.
1666
1667
[21/2/99] HJB rasmac.c, rasmol.c, raswin.c
1668
Update reported date on startup.
1669
1670
[21/2/99] HJB render.c
1671
Add cif_fract.h to avoid compiler warnings.
1672
1673
[21/2/99] HJB string_case.c
1674
Replace garbled version, provide string_case.h.
1675
1676
[21/2/99] HJB script.c
1677
Initialize first, last, radius, to avoid compiler warnings
1678
1679
[21/2/99] HJB transfor.c
1680
Initialize min and max to avoid compiler warnings.
1681
1682
[10/1/99] HJB Release of RasMol_2.6_CIF(Rev 1) at
1683
http://www.bernstein-plus-sons.com/software/rasmol
1684
and announce to mmCIF mailing list.
1685
1686
[9/1/99] HJB cif.c
1687
Change toupper calls to ToUpper calls.
1688
1689
[8/1/99] HJB command.c
1690
Add argument to CreateMoleculeBonds to force zapping
1691
on connect.
1692
1693
[8/1/99] HJB infile.c
1694
Log requested bonds which cannot be made in NullBonds
1695
and report to users, add RightJustify to right-justify
1696
residue names, recognize _atom_site_disorder_group
1697
for small molecule alternate conformerse, recognize bonds
1698
which don't have either atom names or atom numbers.
1699
1700
[8/1/99] HJB molecule.c
1701
Add argument to CreateMoleculeBonds to force zapping
1702
on connect.
1703
1704
[8/1/99] HJB molecule.h
1705
Add argument to CreateMoleculeBonds to force zapping
1706
on connect, add NullBonds to log requested bonds which
1707
cannot be made.
1708
1709
[8/1/99] HJB mswin31.c
1710
Use VERSION to construct window title.
1711
1712
[8/1/99] HJB outfile.c
1713
Use VERSION to construct Postscript output file header.
1714
1715
[8/1/99] HJB rasmac.c
1716
Use VERSION to report version on startup.
1717
1718
[8/1/99] HJB rasmol.c
1719
Use VERSION to report version on startup.
1720
1721
[8/1/99] HJB raswin.c
1722
Use VERSION to report version on startup.
1723
1724
[8/1/99] HJB script.c
1725
Use VERSION to construct various output file headers.
1726
1727
[8/1/99] HJB x11win.c
1728
Use VERSION to construct window title.
1844
[24/2/99] HJB Release of RasMol_2.6_CIF(Rev 2) at
1845
http://www/bernstein-plus-sons.com/software/rasmol
1846
and announce to mailing lists.
1847
1848
[21/2/99] HJB cif.h
1849
Add prototypes of cif_make_handle, cif_read_file,
1850
cif_make_file, cif_save_character to avoid compiler warnings
1851
1852
[21/2/99] HJB cif_ctonum.c
1853
Remove unneeded values.h
1854
1855
[21/2/99] HJB cif_ctonum.h
1856
Correct prototype
1857
1858
[21/2/99] HJB infile.c
1859
Add cif_ctonum.h, define LoadCIFMolecule prototype,
1860
initialize ch, add return to avoid compiler warnings.
1861
1862
[21/2/99] HJB abstree.c, cif.c, cif_ctonum.c, command.c,
1863
infile.c, molecule.c
1864
Use string_case.h instead of <strings.h> for IBMPC,
1865
VMS and APPLEMAC.
1866
1867
[21/2/99] HJB rasmol.h
1868
Update version, add some definitions from R. Sayle's
1869
2.6.4 in preparation for 2.7.0.
1870
1871
[21/2/99] HJB rasmac.c, rasmol.c, raswin.c
1872
Update reported date on startup.
1873
1874
[21/2/99] HJB render.c
1875
Add cif_fract.h to avoid compiler warnings.
1876
1877
[21/2/99] HJB string_case.c
1878
Replace garbled version, provide string_case.h.
1879
1880
[21/2/99] HJB script.c
1881
Initialize first, last, radius, to avoid compiler warnings
1882
1883
[21/2/99] HJB transfor.c
1884
Initialize min and max to avoid compiler warnings.
1885
1886
[10/1/99] HJB Release of RasMol_2.6_CIF(Rev 1) at
1887
http://www.bernstein-plus-sons.com/software/rasmol
1888
and announce to mmCIF mailing list.
1889
1890
[9/1/99] HJB cif.c
1891
Change toupper calls to ToUpper calls.
1892
1893
[8/1/99] HJB command.c
1894
Add argument to CreateMoleculeBonds to force zapping
1895
on connect.
1896
1897
[8/1/99] HJB infile.c
1898
Log requested bonds which cannot be made in NullBonds
1899
and report to users, add RightJustify to right-justify
1900
residue names, recognize _atom_site_disorder_group
1901
for small molecule alternate conformerse, recognize bonds
1902
which don't have either atom names or atom numbers.
1903
1904
[8/1/99] HJB molecule.c
1905
Add argument to CreateMoleculeBonds to force zapping
1906
on connect.
1907
1908
[8/1/99] HJB molecule.h
1909
Add argument to CreateMoleculeBonds to force zapping
1910
on connect, add NullBonds to log requested bonds which
1911
cannot be made.
1912
1913
[8/1/99] HJB mswin31.c
1914
Use VERSION to construct window title.
1915
1916
[8/1/99] HJB outfile.c
1917
Use VERSION to construct Postscript output file header.
1918
1919
[8/1/99] HJB rasmac.c
1920
Use VERSION to report version on startup.
1921
1922
[8/1/99] HJB rasmol.c
1923
Use VERSION to report version on startup.
1924
1925
[8/1/99] HJB raswin.c
1926
Use VERSION to report version on startup.
1927
1928
[8/1/99] HJB script.c
1929
Use VERSION to construct various output file headers.
1930
1931
[8/1/99] HJB x11win.c
1932
Use VERSION to construct window title.
1729
1933
1730
1934
</PRE>
1731
1935
1732
1936
<h3>Changes from RasMol_2.6 to create RasMol_2.6_CIF:</h3>
1733
1937
<PRE>
1734
1938
1735
[22/12/98] HJB Preliminary release of RasMol_2.6_CIF at
1736
http://www.bernstein-plus-sons.com/software/rasmol
1737
1738
[19/12/98] HJB command.c
1739
correct handling of internal help files under windows,
1740
and allow for unix help files on a mac.
1741
1742
[18/12/98] HJB Makefile.in, Imakefile
1743
Update for CIF support.
1744
1745
[09/12/98] HJB infile.c
1746
Cummulative changes for fractional coordinates,
1747
CIF.
1748
1749
[09/12/98] HJB command.c
1750
Changes for alt, model labels, colour schemes,
1751
CIF.
1752
1753
[09/12/98] HJB molecule.h
1754
Cummulative changes for fractional coordinates,
1755
new colour schemes, CIF.
1756
1757
[09/12/98] HJB molecule.c
1758
Cummulative changes for fractional coordinates,
1759
new colour schemes, CIF.
1760
[09/12/98] HJB x11win.c
1761
Update comments, menus and version text.
1762
1763
[09/12/98] HJB mswin31.c
1764
Update comments, output file commentary.
1765
1766
[09/12/98] HJB outfile.c
1767
Update comments, output file commentary.
1768
1769
[09/12/98] HJB script.c
1770
Update comments, output file commentary.
1771
1772
[09/12/98] HJB rasmol.c
1773
Update comments, output file commentary.
1774
1775
[04/12/98] HJB pixutils.c
1776
Update comments, code to stripe bonds for alternate
1777
conformers.
1778
1779
[04/12/98] HJB pixutils.h
1780
Update comments, protytpes to stripe bonds for alternate
1781
conformers.
1782
1783
[04/12/98] HJB rasmac.c
1784
Update comments, adjust code for current Metrowerks
1785
compiler.
1786
1787
[04/12/98] HJB raswin.c
1788
Update comments, adjust code for current Metrowerks
1789
compiler.
1790
1791
[04/12/98] HJB tokens.h
1792
Update comments, tokens for alt, model colours.
1793
1794
[04/12/98] HJB transfor.c
1795
Update comments, add code for alt, model colours.
1796
1797
[04/12/98] HJB transfor.h
1798
Update comments, prototypes for alt, model colours.
1799
1800
[23/11/98] HJB abstree.c
1801
Add code for %A, %M specifiers, divide u/l case.
1802
1803
[22/11/98] HJB cif_fract.c
1804
New routine, derived from cif2pdb by H.J. Bernstein
1805
and F. C. Bernstein.
1806
1807
[22/11/98] HJB cif_fract.h.
1808
New header for cif_fact.c.
1809
1810
[22/11/98] HJB cif_stx.c
1811
New routine, derived from P. Ellis CBFlib parser.
1812
1813
[23/11/98] HJB render.c
1814
Update comments, add code to stripe bonds for alternate
1815
conformers.
1816
1817
[23/11/98] HJB repres.c
1818
Update comments, add code to stripe bonds for alternate
1819
conformers.
1820
1821
[09/09/98] HJB cif_ctonum.c
1822
New routine, derived from ciftbx by S. R. Hall
1823
and H. J. Bernstein.
1824
1825
[09/09/98] HJB cif_ctonum.h
1826
New header for cif_ctonum.c.
1827
1828
[18/08/98] HJB cif.h
1829
New header for cif.c, derived from CBFlib by P. Ellis
1830
and H. J. Bernstein.
1831
1832
[18/08/98] HJB cif.c
1833
New routine derived from CBFlib by P. Ellis and
1834
H. J. Bernstein.
1835
1836
[14/08/98] HJB rasmol.c
1837
Added hooks for termio for Linux. These changes
1838
are similar to, but not identical to the FreeBSD hooks.
1839
See the linux conditionals. -- H. J. Bernstein
1939
[22/12/98] HJB Preliminary release of RasMol_2.6_CIF at
1940
http://www.bernstein-plus-sons.com/software/rasmol
1941
1942
[19/12/98] HJB command.c
1943
correct handling of internal help files under windows,
1944
and allow for unix help files on a mac.
1945
1946
[18/12/98] HJB Makefile.in, Imakefile
1947
Update for CIF support.
1948
1949
[09/12/98] HJB infile.c
1950
Cummulative changes for fractional coordinates,
1951
CIF.
1952
1953
[09/12/98] HJB command.c
1954
Changes for alt, model labels, colour schemes,
1955
CIF.
1956
1957
[09/12/98] HJB molecule.h
1958
Cummulative changes for fractional coordinates,
1959
new colour schemes, CIF.
1960
1961
[09/12/98] HJB molecule.c
1962
Cummulative changes for fractional coordinates,
1963
new colour schemes, CIF.
1964
[09/12/98] HJB x11win.c
1965
Update comments, menus and version text.
1966
1967
[09/12/98] HJB mswin31.c
1968
Update comments, output file commentary.
1969
1970
[09/12/98] HJB outfile.c
1971
Update comments, output file commentary.
1972
1973
[09/12/98] HJB script.c
1974
Update comments, output file commentary.
1975
1976
[09/12/98] HJB rasmol.c
1977
Update comments, output file commentary.
1978
1979
[04/12/98] HJB pixutils.c
1980
Update comments, code to stripe bonds for alternate
1981
conformers.
1982
1983
[04/12/98] HJB pixutils.h
1984
Update comments, protytpes to stripe bonds for alternate
1985
conformers.
1986
1987
[04/12/98] HJB rasmac.c
1988
Update comments, adjust code for current Metrowerks
1989
compiler.
1990
1991
[04/12/98] HJB raswin.c
1992
Update comments, adjust code for current Metrowerks
1993
compiler.
1994
1995
[04/12/98] HJB tokens.h
1996
Update comments, tokens for alt, model colours.
1997
1998
[04/12/98] HJB transfor.c
1999
Update comments, add code for alt, model colours.
2000
2001
[04/12/98] HJB transfor.h
2002
Update comments, prototypes for alt, model colours.
2003
2004
[23/11/98] HJB abstree.c
2005
Add code for %A, %M specifiers, divide u/l case.
2006
2007
[22/11/98] HJB cif_fract.c
2008
New routine, derived from cif2pdb by H.J. Bernstein
2009
and F. C. Bernstein.
2010
2011
[22/11/98] HJB cif_fract.h.
2012
New header for cif_fact.c.
2013
2014
[22/11/98] HJB cif_stx.c
2015
New routine, derived from P. Ellis CBFlib parser.
2016
2017
[23/11/98] HJB render.c
2018
Update comments, add code to stripe bonds for alternate
2019
conformers.
2020
2021
[23/11/98] HJB repres.c
2022
Update comments, add code to stripe bonds for alternate
2023
conformers.
2024
2025
[09/09/98] HJB cif_ctonum.c
2026
New routine, derived from ciftbx by S. R. Hall
2027
and H. J. Bernstein.
2028
2029
[09/09/98] HJB cif_ctonum.h
2030
New header for cif_ctonum.c.
2031
2032
[18/08/98] HJB cif.h
2033
New header for cif.c, derived from CBFlib by P. Ellis
2034
and H. J. Bernstein.
2035
2036
[18/08/98] HJB cif.c
2037
New routine derived from CBFlib by P. Ellis and
2038
H. J. Bernstein.
2039
2040
[14/08/98] HJB rasmol.c
2041
Added hooks for termio for Linux. These changes
2042
are similar to, but not identical to the FreeBSD hooks.
2043
See the linux conditionals. -- H. J. Bernstein
1840
2044
</PRE>
1841
2045
<P>
1842
2046
<h3>Other Changes</h3>
1862
2066
<br />
1863
2067
</CENTER>
1864
2068
<HR>
1865
Updated 20 March 2008.<br />
2069
Updated 19 July 2009.<br />
1866
2070
Herbert J. Bernstein<br />
1867
2071
Bernstein + Sons, 5 Brewster Lane, Bellport, NY 11713-2803, USA<br />
1868
2072
<script language="javascript" type="text/javascript">
Loggerhead is a web-based interface for Breezy
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