3
Molecular Graphics Visualisation Tool
4
19 November 2007 (rev. 17 March 2008)
6
Based on RasMol 2.6 by Roger Sayle
7
Biomolecular Structures Group, Glaxo Wellcome Research & Development, Stevenage,
9
Version 2.6, August 1995, Version 2.6.4, December 1998
10
Copyright (c) Roger Sayle 1992-1999
14
+------------------------------------------------------------------------------+
15
| Author | Version, Date | Copyright |
16
|-------------------+----------------------+-----------------------------------|
17
| Arne Mueller | RasMol 2.6x1 May | (c) Arne Mueller 1998 |
19
|-------------------+----------------------+-----------------------------------|
20
| Gary Grossman and | RasMol 2.5-ucb | (c) UC Regents/ModularCHEM |
21
| Marco Molinaro | November 1995 | Consortium 1995, 1996 |
22
| | RasMol 2.6-ucb | |
24
|-------------------+----------------------+-----------------------------------|
25
| Philippe Valadon | RasTop 1.3 August | (c) Philippe Valadon 2000 |
27
|-------------------+----------------------+-----------------------------------|
28
| Herbert J. | RasMol 2.7.0 March | (c) Herbert J. Bernstein |
29
| Bernstein | 1999 | 1998-2008 |
30
| | RasMol 2.7.1 June | |
32
| | RasMol 2.7.1.1 | |
34
| | RasMol 2.7.2 August | |
36
| | RasMol 2.7.2.1 April | |
38
| | RasMol 2.7.2.1.1 | |
42
| | RasMol 2.7.3.1 Apr | |
44
| | RasMol 2.7.4 Nov 07 | |
45
| | RasMol 2.7.4.1 Jan | |
47
| | RasMol 2.7.4.2 Mar | |
49
+------------------------------------------------------------------------------+
52
Herbert J. Bernstein, Bernstein + Sons, 5 Brewster Lane, Bellport, NY, USA
53
yaya@bernstein-plus-sons.com
54
Copyright (c) Herbert J. Bernstein 1998-2008
56
----------------------------------------------------------------------
58
THIS IS A PRELIMINARY RELEASE INVOLVING EXTENSIVE MODIFICATIONS
59
***** USE WITH CAUTION ******
61
----------------------------------------------------------------------
65
This version is based directly on RasMol 2.7.3.1, RasMol 2.7.3, RasMol
66
2.7.2.1.1 and on RasMol 2.7.2, on RasMol 2.7.1.1, on RasTop 1.3, on RasMol
67
version 2.6_CIF.2, on RasMol version 2.6x1, on RasMol version 2.6.4, and
68
RasMol 2.5-ucb and 2.6-ucb. Please read the file NOTICE for important
69
notices which apply to this package and for license terms (GPL or RASLIC).
71
This version of RasMol is not in the public domain, but it is given freely
72
to the community in the hopes of advancing science. If you make changes,
73
please make them in a responsible manner, and please offer us the
74
opportunity to include those changes in future versions of RasMol.
76
----------------------------------------------------------------------
2
Molecular Graphics Visualisation Tool
3
13 June 2009 (rev. 17 July 2009)
5
Based on RasMol 2.6 by Roger Sayle
6
Biomolecular Structures Group, Glaxo Wellcome Research & Development, Stevenage, Hertfordshire,
8
Version 2.6, August 1995, Version 2.6.4, December 1998
9
Copyright (c) Roger Sayle 1992-1999
13
+---------------------------------------------------------------------------------------------+
14
| Author | Version, Date | Copyright |
15
|----------------------+---------------------------------+------------------------------------|
16
| Arne Mueller | RasMol 2.6x1 May 1998 | (c) Arne Mueller 1998 |
17
|----------------------+---------------------------------+------------------------------------|
18
| Gary Grossman and | RasMol 2.5-ucb November 1995 | (c) UC Regents/ModularCHEM |
19
| Marco Molinaro | RasMol 2.6-ucb November 1996 | Consortium 1995, 1996 |
20
|----------------------+---------------------------------+------------------------------------|
21
| Philippe Valadon | RasTop 1.3 August 2000 | (c) Philippe Valadon 2000 |
22
|----------------------+---------------------------------+------------------------------------|
23
| Herbert J. Bernstein | RasMol 2.7.0 March 1999 | (c) Herbert J. Bernstein 1998-2008 |
24
| | RasMol 2.7.1 June 1999 | |
25
| | RasMol 2.7.1.1 January 2001 | |
26
| | RasMol 2.7.2 August 2000 | |
27
| | RasMol 2.7.2.1 April 2001 | |
28
| | RasMol 2.7.2.1.1 January 2004 | |
29
| | RasMol 2.7.3 February 2005 | |
30
| | RasMol 2.7.3.1 Apr 06 | |
31
| | RasMol 2.7.4 Nov 07 | |
32
| | RasMol 2.7.4.1 Jan 08 | |
33
| | RasMol 2.7.4.2 Mar 08 | |
34
| | RasMol 2.7.5 Jun 09 RasMol | |
35
| | 2.7.5.1 Jul 09 | |
36
+---------------------------------------------------------------------------------------------+
39
Herbert J. Bernstein, Bernstein + Sons, 5 Brewster Lane, Bellport, NY, USA
40
yaya@bernstein-plus-sons.com
41
Copyright (c) Herbert J. Bernstein 1998-2009
43
-----------------------------------------------------------------------------------------
45
THIS IS A PRELIMINARY RELEASE INVOLVING EXTENSIVE MODIFICATIONS
46
***** USE WITH CAUTION ******
48
-----------------------------------------------------------------------------------------
52
This version is based directly on RasMol 2.7.4.2, RasMol 2.7.4.1, RasMol 2.7.4, RasMol
53
2.7.3.1, RasMol 2.7.3, RasMol 2.7.2.1.1 and on RasMol 2.7.2, on RasMol 2.7.1.1, on RasTop
54
1.3, on RasMol version 2.6_CIF.2, on RasMol version 2.6x1, on RasMol version 2.6.4, and
55
RasMol 2.5-ucb and 2.6-ucb. Please read the file NOTICE for important notices which apply
56
to this package and for license terms (GPL or RASLIC).
58
This version of RasMol is not in the public domain, but it is given freely to the
59
community in the hopes of advancing science. If you make changes, please make them in a
60
responsible manner, and please offer us the opportunity to include those changes in
61
future versions of RasMol.
63
-----------------------------------------------------------------------------------------
65
Changes from RasMol 2.7.4.2 to RasMol 2.7.5 include:
67
* Support for SBEVSL movie commands.
68
* Support for Lee-Richards surface approximation by contouring pseudo-Gaussian electron
70
* Selection of atoms by proximity to map contours
71
* Coloring of maps by the colors of neighboring atoms
72
* Signficant improvements to the GTK version by Teemu Ikonen
74
Changes to RasMol 2.7.4.2 to create RasMol 2.7.5.1:
76
[18/07/2009] HJB .symlinks
77
Update .symlinks to 2.7.5
79
[17/07/2009] HJB cif.c command.c raswin_install.nsi
80
Windows port changes: Update NSIS installer script
81
Change from mktemp to tmpfile and use rewind not freopen
83
[17/07/2009] HJB rasmol.doc rasmol.hlp rasmol.html cif.c command.c
84
rasmol.man rasmol.tex rasmol.vms raswin.rtf
85
Update doc for 2.7.5, and fix some spacing
87
[17/07/2009] HJB cif.c x11win.c
88
Correct X11 file menu for more than 5 open files
89
Correct cif_read_file CBFlib version to use a temporary file
91
[16/07/2009] HJB rasmol_install.sh
92
Correct reporting of font installs for Chinese.X and Japanese.X
94
[14/07/2009] HJB transfor.c
95
Fix missing scaling in new translate logic
97
[12/07/2009] HJB command.c command.h tokens.c trnasfor.c transfor.h
98
Preliminary movie play logic.
100
[11/07/2009] HJB command.c
101
Switch record templates to SSSSSS as per manual
102
Fix a bug in defer symbol linking
103
Report undefined symbols in calls to show defer symbol
105
[10/07/2009] HJB Imakefile_base command.c
106
Correct Imakefile_base
107
Add defer/execute movie interaction
109
[09/07/2009] HJB Imakefile_base rasmol_build_options.sh
110
Provide new script, rasmol_build_options.sh to reconstruct
111
new Imakefile from stable Imakefile_base
113
[09/07/2009] HJB Imakefile rasmol.c
114
Default Imakefile to use local copies of CQRLIB, CVECTOR,
115
XFORMSLIB and CBFLIB.
116
Change from use of fl_init to fl_initialize for xforms-1.0.91
118
[08/07/2009] HJB Imakefile abstree.c applemac.c cif.stx.tab.c cmndline.c
119
command.c command.h graphics.h gtkwin.c multiple.c
120
outfile.c rasmac.c rasmol.c rastxt.c raswin.c render.c
121
repres.c transfor.c transfor.h wbrotate.c wbrotate.h x11win.c
122
Partial changes for defer/execute command.
123
Update versions of external files used in Makefile.
124
Cleanup of varibables names for saving dial values.
126
[04/07/2009] HJB command.c maps.c molecule.c pixutils.c rasmol.h repres.c
128
Clean up errors in map color atom command and remove use
129
of polys with differing vertex colors by breaking up the
130
triangles into monchrome subtriangles
132
[02/07/2009] TPI molecule.c
133
Add #define _GNU_SOURCE to get the correct definition of basename()
135
[29/06/2009] HJB command.c
136
Fix to map select atom add
137
Add esd to map show for distances to surfaces
138
and make code for distances to reentrant surfaces more accurate
140
[25/06/2009] HJB Imakefile command.c molecule.c molecule.h
141
Update to use of NearTree 2.1.2
142
Add code to report surface fit stats in map show
144
[18/06/2009] HJB Imakefile build_MACOSX.sh build_all.sh command.c
145
rasmol_install.sh tokens.c tokens.h
146
Add 'add' and 'within' parameters to map select atoms command
147
Also allow search radius to be specified
149
[16/06/2009] HJB Imakefile
150
Update Imakefile for use of installed packages
152
[14/06/2009] HJB Imakefile
153
Set up loads of necessary external packages from sourceforge
155
[13/06/2009] HJB Imakefile applemac.c cmndline.c cmndline.h command.c
156
graphics.h maps.h molecule.c molecule.h mswin31.c
157
multiple.c rasmac.c tokens.c tokens.h transfor.c transfor.h
159
Integrate surface and movie code with gtk code
161
[03/06/2009] TPI rasmol.c
162
DisplayUsage(): Revert back to fputs
164
[27/05/2009] TPI render.c
165
Do not assume sizeof(Pixel) == sizeof(Long)
166
Use variables of type Pixel consistently in buffer clearing functions.
167
Remove version of ClearBuffers() which does not require memset().
169
[17/07/2009] TPI graphics.h
170
add startup representation flags
172
[17/07/2009] HJB rasmol.doc rasmol.html rasmol.man,
173
Update manual to 2.7.5
175
[12/05/2009] TPI gtkwin.c
176
Fix vte input problems by using vte input callback instead of
178
Various file open fixes to GTK version
179
Fix setting of initial window size.
180
Fix file open in GTK version: Copy the file name to global var
181
DataFileName before calling FetchFile.
182
Add file type filtering to GTK filechooser.
185
[12/05/2009] TPI rasmol.c
186
Fix text output with VTE in GTK interface.
188
[12/05/2009] TPI command.c command.h rasmol.c
189
Refactor file opening code. Add support for opening more
190
than one file from the command line.
191
Simplify file opening code, remove globs and allow to open files
192
with spaces and other 'special' characters.
193
Fix reading files from stdin with '-' arg.
195
[07/02/2009] HJB command.c command.h rasmac.c rasmol.c rastxt.c raswin.c
196
tokens.c tokens.h transfor.c transfor.h
197
Updates to enable the record mode to files. Use with caution,
198
there are some problems with picking up ReDrawFlag on changes
199
in appearance. Mouse motion helps to get past the glitch.
201
[06/02/2009] HJB command.c command.h graphics.h gtkwinc. maps.c rasmac.c
202
rasmol.c rastxt.c raswin.c tokens.c tokens.h transfor.c
204
First pass at SBEVSL movie-making commands
206
[16/11/2008] HJB command.c maps.c
207
Update to Lee-Richards approximation for probe of given
208
probe radius with new logic for map spread 0; map scale off;
209
so that set radius ; map resolution .67; map spread 0;
210
map scale off; map generate surface produces a good surface
213
[20/05/2009] TPI molecule.c
214
ReviseTitle(): If no identcode, use filename in the title
216
[20/05/2009] TPI gtkwin.c multiple.c
217
Update GTK molecule list when a molecule is picked
218
gtkwin.c: set_gtk_open_file(); new function.
219
UpdateGtkMoleculeList(); free allocated lists, reindent
220
multiple.c: SelectMolecule(); call set_gtk_open_file()
222
[20/05/2009] TPI gtkwin.c rasmol.c
223
Fix recent files support in GTK version
224
build_gtkmenu(): Set recent user sort type to most recently used.
225
Display 30 recent files.
228
[20/05/2009] TPI printing-resolution.glade sizechooser.glade
229
Remove useless response_id properties from glade files
231
[18/05/2009] TPI gtkwin.c rasmol.c
232
Really fix VTE output in GTK version.
233
Stop using PTYs for terminal io with VTE.
234
Don't touch the controlling terminal during init and reset.
235
Make Delete key work and ignore unhandled terminal escape sequences.
236
Use custom versions of RasMolExit and RasMolFatalExit in GTK version.
237
Add some keyboard shortcuts to the GTK GUI.
239
[18/05/2009] TPI gtkwin.c
240
Change image export shortcut to C-X
242
[14/05/2009] TPI rasmol_48x48.xpm Imakefile gtkwin.c
243
Add an xpm icon for Rasmol.
244
Set window icon in the GTK version.
246
[13/05/2009] TPI command.c
247
revert the filename globbing and extension handling code
249
[15/02/2009] HJB rasmac.c rasmol.c raswin.c
250
Clean up handling of ReDrawFlag for appearance changes
252
[31/10/2008] HJB command.c maps.c
253
First pass a Lee-Richards surface approximation for map
254
generate with map resolution 1; map cale off; map level .5;
78
259
Changes from RasMol 2.7.4.1 to RasMol 2.7.4.2 include:
80
* Alignment of command line sizing and positioning options for Windows
81
and X-Windows version. The command line options -height nnnn, -width
82
nnnn, -xpos nnnn and -ypos nnnn may be used to set the size and
83
position of the initial window.
84
* Change of the encoding for Japanese messages and menus from SJIS to
85
EUC-JP, and corrections to the fontset handling for Chinese and
86
Japanese. Thanks to Mamoru Yamanishi for contributing the improved
88
* Updates to the rasmol_install.sh and rasmol_run.sh scripts to support
89
Chinese and Japanese using cxterm.
261
* Alignment of command line sizing and positioning options for Windows and X-Windows
262
version. The command line options -height nnnn, -width nnnn, -xpos nnnn and -ypos
263
nnnn may be used to set the size and position of the initial window.
264
* Change of the encoding for Japanese messages and menus from SJIS to EUC-JP, and
265
corrections to the fontset handling for Chinese and Japanese. Thanks to Mamoru
266
Yamanishi for contributing the improved fontset logic.
267
* Updates to the rasmol_install.sh and rasmol_run.sh scripts to support Chinese and
268
Japanese using cxterm.
90
269
* Optional use of GTK. Thanks to Teemu Ikonen for the new GTK code.
92
271
Changes to RasMol 2.7.4 to create RasMol 2.7.4.1:
353
530
Add mirror and rotate options for VRML.
356
Changes from RasMol 2.7.2.1.1 (the final reference release of RasMol 2.7.2) to
357
RasMol 2.7.3.1 include:
533
Changes from RasMol 2.7.2.1.1 (the final reference release of RasMol 2.7.2) to RasMol 2.7.3.1
359
* Adjustment to the mouse handling for a better, more natural feel. Our
360
thanks to C. Chigbo for the suggestion.
536
* Adjustment to the mouse handling for a better, more natural feel. Our thanks to C.
537
Chigbo for the suggestion.
361
538
* Correction to cif.c for blanks after an initial quote mark.
362
539
* Correction to mswin31.c to restore lost initializations of ZRange and
364
* Modifications by Mamoru Yamanishi to Imakefile and rasmol.c to use
365
xforms for GUI file open. This patch needs the opens source xforms
366
1.0.90 library by Steve Lamont.
367
* Correction to molecule.c to correct input of xyz files. Thanks to
369
* Revision to CPK colors by C. Chigbo. The new colors are called CPKNEW.
370
The current CPK colors remain available as CPK.
371
* Correction to negative torsion angle monitors and to imprecise
372
distance and angle monitors by C. Chigbo. This patch corrects the
373
display of negative torsion angles caused by use of the unsigned short
374
type, and correctys imprecise distance and angle displays. This
375
extends the original patch which was just for torsion angles
376
(torsion.patch). A side effect of this change is to limit the
377
available range for distance monitors to approximately 327 AAngstroms.
378
* Initial code for display of solid Lee-Richards molecular surfaces.
379
This patch adds the basic code for display of Lee-Richards surfaces
380
with a new Molecular Surface menu item, and surface molecule <probe
381
radius> and surface solvent <probe radius> commands.
382
* Corrections of ribbons 0, etc. commands by R. Chachra. With this
383
patch, the wireframe 0, ribbon 0, cartoon 0, backbone 0, strands 0 and
384
trace 0 commands work the same as these command with off instead of 0.
541
* Modifications by Mamoru Yamanishi to Imakefile and rasmol.c to use xforms for GUI
542
file open. This patch needs the opens source xforms 1.0.90 library by Steve Lamont.
543
* Correction to molecule.c to correct input of xyz files. Thanks to Stuart Prescott.
544
* Revision to CPK colors by C. Chigbo. The new colors are called CPKNEW. The current
545
CPK colors remain available as CPK.
546
* Correction to negative torsion angle monitors and to imprecise distance and angle
547
monitors by C. Chigbo. This patch corrects the display of negative torsion angles
548
caused by use of the unsigned short type, and correctys imprecise distance and angle
549
displays. This extends the original patch which was just for torsion angles
550
(torsion.patch). A side effect of this change is to limit the available range for
551
distance monitors to approximately 327 AAngstroms.
552
* Initial code for display of solid Lee-Richards molecular surfaces. This patch adds
553
the basic code for display of Lee-Richards surfaces with a new Molecular Surface menu
554
item, and surface molecule <probe radius> and surface solvent <probe radius>
556
* Corrections of ribbons 0, etc. commands by R. Chachra. With this patch, the wireframe
557
0, ribbon 0, cartoon 0, backbone 0, strands 0 and trace 0 commands work the same as
558
these command with off instead of 0.
386
560
Changes to RasMol 2.7.3 to create RasMol 2.7.3.1:
453
627
correction to SubtractAtoms for bond rotation.
456
Changes from RasMol 2.7.1 (the final reference release of RasMol 2.7.2) to
457
RasMol 2.7.2.1.1 include:
630
Changes from RasMol 2.7.1 (the final reference release of RasMol 2.7.2) to RasMol 2.7.2.1.1
459
* Post release patches to command.c were included to fix the handling of
460
load inline in the UCB multiple molecule environment. In addition
461
conditional code controlled by STRICT was disabled to restore
462
operation of load inline under windows. Thanks to Jan Reichert
463
<jr@imb-jena.de> for pointing out these problems. Thanks to E. Martz
464
<emartz@microbio.umass.edu> for pointing out an error in the Spanish
465
translation credits which has been corrected. Thanks to a report by
466
Julien Hering, the omission of a prior fix to the MS Windows version
467
was found and corrected on 7 May 2004.
468
* Adaption of the multilingual mods from RasMol 2.7.1.1 into Rasmol
470
* Rewrite of the mouse handling and rotation logic to correct the
471
problems in 2.7.2 and make the feel of 2.7.2.1 closer to that of
633
* Post release patches to command.c were included to fix the handling of load inline in
634
the UCB multiple molecule environment. In addition conditional code controlled by
635
STRICT was disabled to restore operation of load inline under windows. Thanks to Jan
636
Reichert <jr@imb-jena.de> for pointing out these problems. Thanks to E. Martz
637
<emartz@microbio.umass.edu> for pointing out an error in the Spanish translation
638
credits which has been corrected. Thanks to a report by Julien Hering, the omission
639
of a prior fix to the MS Windows version was found and corrected on 7 May 2004.
640
* Adaption of the multilingual mods from RasMol 2.7.1.1 into Rasmol 2.7.2.1.
641
* Rewrite of the mouse handling and rotation logic to correct the problems in 2.7.2 and
642
make the feel of 2.7.2.1 closer to that of RasMol 2.7.1.
473
643
* Addition of French menus and messages
474
644
* Addition of Italian menus and messages
475
* Adoption of picking for selection of atoms, groups or chains from
645
* Adoption of picking for selection of atoms, groups or chains from RasTop 1.3.
477
646
* Adoption of backclipping from RasTop 1.3
478
647
* Adoption of shadepower command for glassy surfaces from RasTop 1.3
479
648
* Change of the menu stereo option to rotate cross-wall-none
480
649
* Allow longer atom names (12 characters) in CIFs.
481
* Incorporation of some of the code from the UCB RasMol variants. Out
482
thanks to Eileen Lewis and Marco Molinaro for their cooperation in
483
contributing the UCB Enhanced RasMol code for incorporation into the
485
* Code to represent bonds in and to alternate conformers with a narrowed
486
portion in the middle of each bond.
487
* An attempt to fix some of the chirality reversals in some of the
650
* Incorporation of some of the code from the UCB RasMol variants. Out thanks to Eileen
651
Lewis and Marco Molinaro for their cooperation in contributing the UCB Enhanced
652
RasMol code for incorporation into the RasMol 2.7 series.
653
* Code to represent bonds in and to alternate conformers with a narrowed portion in the
655
* An attempt to fix some of the chirality reversals in some of the output modes.
489
656
* Fixes for some of the problems reported since the last release.
491
658
Post-release changes to RasMol 2.7.2.1.1:
494
[07/05/04] HJB mswin31.c
661
[07/05/04] HJB mswin31.c
495
662
restored lost fix for intialization of ZRange and
496
663
DialValue[8..9] and rebuilt raswin.exe. Thanks to
499
[14/02/04] HJB pixutils.c
666
[14/02/04] HJB pixutils.c
500
667
remove static from declaration of ClipVector.
502
[14/02/14] HJB cif_stx.c
669
[14/02/14] HJB cif_stx.c
503
670
remove trailing characters from #endif.
505
[03/02/04] HJB Makefile.in
672
[03/02/04] HJB Makefile.in
506
673
Change transfer to transfor in 2 dependencies. Thanks
509
676
Changes to RasMol 2.7.2.1 to create RasMol 2.7.2.1.1:
512
[26/01/04] HJB abstree.c
679
[26/01/04] HJB abstree.c
513
680
Fix warning on sprintf calls with unused args, match long
514
681
variables with %ld format descriptors.
517
684
Add brackets to avoid compiler warnings on dangling elses.
518
685
Fix cif_lex to parse 'O''' correctly. Change from
519
686
WORD to CIFWORD to avoid conflict with windows.h.
522
689
Change from WORD to CIFWORD to avoid conflict with windows.h.
523
690
Add prototype for cif_free_handle.
525
[26/01/04] HJB cif.stx.tab.c
692
[26/01/04] HJB cif.stx.tab.c
526
693
Change from WORD to CIFWORD to avoid conflict with windows.h.
528
[26/01/04] HJB cif_ctonum.c
695
[26/01/04] HJB cif_ctonum.c
529
696
Remove unused variable dndec
531
[26/01/04] HJB cif_fract.c
698
[26/01/04] HJB cif_fract.c
532
699
Remove unused variable kk
534
[26/01/04] HJB cif_stx.c
701
[26/01/04] HJB cif_stx.c
535
702
Change from WORD to CIFWORD to avoid conflict with windows.h.
536
703
Add include of rasmol.h.
538
[26/01/04] HJB command.c
705
[26/01/04] HJB command.c
539
706
Initialize variables to avoid compiler warnings. Use %ld
540
707
format for long variables. Fix RotMode == RotBond which
541
708
should have been an assignment. Add parens on logical
544
[26/01/04] HJB command.h
711
[26/01/04] HJB command.h
545
712
Add prototypes for ResumePauseCommand, InterruptPauseCommand.
547
[26/01/04] HJB graphics.h
714
[26/01/04] HJB graphics.h
548
715
Add include of windows.h
550
[26/01/04] HJB infile.c
717
[26/01/04] HJB infile.c
551
718
Removed unused ReadValue2. Add brackets to avoid compiler
552
719
warnings on dangling elses. Initialize variables to avoid
553
720
compiler warnings.
555
[26/01/04] HJB langsel.c langsel_mac.c
722
[26/01/04] HJB langsel.c langsel_mac.c
556
723
Add include of string.h
558
[26/01/04] HJB molecule.c
725
[26/01/04] HJB molecule.c
559
726
Add include of graphics.h. Change to %ld format for longs.
560
727
Remove unused variables. Add brackets to avoid compiler warnings
561
728
on dangling elses.
563
[26/01/04] HJB molecule.h
730
[26/01/04] HJB molecule.h
564
731
Add prototype of TestDisulphideBridge.
566
[26/01/04] HJB multiple.c
733
[26/01/04] HJB multiple.c
567
734
Fix reversed comment terminator. Add include of string.h. Add
568
735
brackets to initializer to match structure.
570
[26/01/04] HJB multiple.h
737
[26/01/04] HJB multiple.h
571
738
Add prototype of ReRadius.
573
[26/01/04] HJB outfile.c
740
[26/01/04] HJB outfile.c
574
741
Initialize variables to avoid compiler warnings. Change to %ld
577
[26/01/04] HJB pixutils.c
744
[26/01/04] HJB pixutils.c
578
745
Initialize variables to avoid compiler warnings. Removed unused
581
[26/01/04] HJB pixutils.h
748
[26/01/04] HJB pixutils.h
582
749
Add prototypes of DrawTwinLine, ClipLine, ClipTwinLine,
583
750
ClipDashLine, DrawTwinVector, ClipVector, ClipTwinVector,
586
[26/01/04] HJB rasmol.c
753
[26/01/04] HJB rasmol.c
587
754
Add parens to avoid compiler warning.
589
[26/01/04] HJB rasmol.h
756
[26/01/04] HJB rasmol.h
590
757
Set version and date. Add include of stdlib.h for malloc.
592
[26/01/04] HJB render.c
759
[26/01/04] HJB render.c
593
760
Change the handling of very long longs to avoid a compiler
594
761
warning. Use %ld format for longs.
596
[26/01/04] HJB repres.c
763
[26/01/04] HJB repres.c
597
764
Remove unused variables. Use %ld format for longs. Initialize
598
765
variables to avoid compiler warnings.
600
[26/01/04] HJB repres.h
767
[26/01/04] HJB repres.h
601
768
Add prototype of LoadDotsFile.
603
[26/01/04] HJB script.c
770
[26/01/04] HJB script.c
604
771
Add include of string.h. Use %ld format for longs. Initialize
605
772
variables to avoid compiler warnings. Remove unused variables.
606
773
Fix sign of trailing bits on VRML z coordinates.
608
[26/01/04] HJB script.h
775
[26/01/04] HJB script.h
609
776
Add prototype of WritePOVRay3File.
611
[26/01/04] HJB tokens.h
778
[26/01/04] HJB tokens.h
612
779
Add parens in definition of IsImageToken.
614
[26/01/04] HJB transfor.c
781
[26/01/04] HJB transfor.c
615
782
Add parens for logical expression. Remove unused variables.
616
783
Initialize variables to avoid compiler warnings.
618
[26/01/04] HJB transfor.h
785
[26/01/04] HJB transfor.h
619
786
Add prototype of DefineShade, RMat2RV, RV2RMat.
621
[26/01/04] HJB wbrotate.c
788
[26/01/04] HJB wbrotate.c
622
789
Add include of cmndline.h. Remove unused variables. Initialize
623
790
variables to avoid compiler warnings. Use %ld format for longs.
624
791
Add value for a returns that need them.
626
[26/01/04] HJB x11win.c
793
[26/01/04] HJB x11win.c
627
794
Initialize variables to avoid compiler warnings. Add brackets to
628
795
avoid compiler warnings on dangling elses.
630
[14/04/02] HJB Imakefile
797
[14/04/02] HJB Imakefile
631
798
Update to allow scripts to make multiple pixel depths by
632
799
setting PIXELDEPTH to 8, 16 or 32 externally. Add default
633
800
flags for various HP architectures.
636
803
Reduce warnings by casting uses of size_t.
638
[13/04/02] HJB cif_ctonum.c
805
[13/04/02] HJB cif_ctonum.c
639
806
Reduce warnings by casting to int for pointers indptr-test.
641
[13/04/02] HJB command.c
808
[13/04/02] HJB command.c
642
809
Reduce warnings by explicit use of long (rather than Long)
643
810
for fpos, and casting to size_t for comparisons, etc.
645
[13/04/02] HJB infile.c
812
[13/04/02] HJB infile.c
646
813
In ProcessPDBBond, match types of srcatm and dstatom by
647
814
changing from int to Long, casting to size_t for
648
815
comparisons, etc.
650
[13/04/02] HJB molecule.c
817
[13/04/02] HJB molecule.c
651
818
Change MemSize from int to size_t.
653
[13/04/02] HJB rasmol.c
820
[13/04/02] HJB rasmol.c
654
821
Change AdviseLen from int to size_t, change socket to xsocket,
655
822
change __hpux to HPUX_LEGACY
657
[13/04/02] HJB rasmol.h
824
[13/04/02] HJB rasmol.h
658
825
Add HPUX_LEGACY for old style hpux select.
660
[13/04/02] HJB render.c
827
[13/04/02] HJB render.c
661
828
Make test of sizeof(Long) > 4 conditional on not defining
662
829
_LONGLONG. Make some changes from Long to long, etc.
664
[13/04/02] HJB x11win.c
831
[13/04/02] HJB x11win.c
665
832
Cast some pointer diffs to int, change some Long to long,
668
[29/06/01] HJB command.c
835
[29/06/01] HJB command.c
669
836
Correct logic for inline load of a new molecule from
670
837
data file treated as a script.
673
840
Fix credit for initial Spanish translation. Thanks to
676
[19/04/01] HJB command.c
843
[19/04/01] HJB command.c
677
844
Post release fix to handling of load inline in
678
845
windows version due to problem with STRICT logic.
679
846
Thanks to Jan Reichert <jr@imb-jena.de> for pointing
682
[18/04/01] HJB command.c
849
[18/04/01] HJB command.c
683
850
Post release fix to handling of load inline in UCB
684
851
multiple molecule environment. Thanks to Jan
685
852
Reichert <jr@imb-jena.de> for pointing out the
688
855
Changes from RasMol 2.7.1.1 and 2.7.2 to create RasMol 2.7.2.1:
690
[14/04/01] HJB script.c
857
[14/04/01] HJB script.c
691
858
Correct error in writing scripts with partial use of spacefill.
692
859
Thanks to Steven Vik <svik@mail.smu.edu> for reporting the
695
[14/04/01] HJB rasmol.doc, itasmol2721.hlp, esrasmol.html
862
[14/04/01] HJB rasmol.doc, itasmol2721.hlp, esrasmol.html
696
863
Updated manuals for 2.7.2.1.
698
[02/04/01] HJB abstree.c, abstree.h
865
[02/04/01] HJB abstree.c, abstree.h
699
866
Increase space for atom names from 4 to 12 characters.
701
[02/04/01] HJB applemac.c
868
[02/04/01] HJB applemac.c
702
869
Add symbolic ZRange, add 2 dials. See [12/01/01] changes for langsel.
704
[02/04/01] HJB cmndline.c, cmndline.h
871
[02/04/01] HJB cmndline.c, cmndline.h
705
872
Reworked all exits on mouse motion processing to leave values
706
873
in DialValues or WRot..., etc depending on RotMode. Made HeldButton
707
874
a global for future reference.
709
[02/04/01] HJB command.c, rasmol.c, rasmac.c, raswin.c
876
[02/04/01] HJB command.c, rasmol.c, rasmac.c, raswin.c
710
877
Change stereo command to cycle cross-wall-none.
712
[02/04/01] HJB command.c, script.c, transfor.c
879
[02/04/01] HJB command.c, script.c, transfor.c
713
880
Rework output of rotation information.
715
[02/04/01] HJB infile.c
882
[02/04/01] HJB infile.c
716
883
Increase limit on atom names for CIF from 4 to 12 characters.
718
[02/04/01] HJB langsel.c langsel_mac.c
885
[02/04/01] HJB langsel.c langsel_mac.c
719
886
Add French (thanks to Jean-Pierre Demailly
720
887
<Jean-Pierre.Demailly@ujf-grenoble.fr>) and Italian (Giuseppe Martini
721
888
<martini@iigb.na.cnr.it> and Giovanni Paolella <paolella@dbbm.unina.it>
722
889
with contributions by: A. Davassi, M. Masullo, C. Liotto, G. Paolella,
723
890
G. Martini. Adapt to 2.7.2 menu structure.
725
[02/04/01] HJB mswin31.c
892
[02/04/01] HJB mswin31.c
726
893
Removed "Printing Completed" message.
728
[02/04/01] HJB multiple.c
895
[02/04/01] HJB multiple.c
729
896
Save DotPtr to fix misplaced dots in multiple molecules. Save
730
897
LastTX, LastTY, LastTZ, LocalRadius, ShiftS, XlateCen. Make
731
898
"Insufficient memory" message be language dependent
732
899
MsgStrs[StrMalloc]
734
[02/04/01] HJB outfile.c, pixutils.c, repres.c
901
[02/04/01] HJB outfile.c, pixutils.c, repres.c
735
902
Rework backclipping separating ZOffset from new DepthValue,
738
[02/04/01] HJB tokens.c
905
[02/04/01] HJB tokens.c
739
906
Added the following tokens relative to 2.7.2, includes tokens
740
907
added for 2.7.1.1:
864
1032
and 2.7.2 bond picking was used in 2.7.2.1 instead of the
867
[22/09/99] PV abstree.h, abstree.c
1035
[22/09/99] PV abstree.h, abstree.c
868
1036
First step for saving atomsets & identifiers in RasMol scripts
869
1037
(SetSize to 100 and SymEntry and SymbolTable in header).
872
1040
Fixed missing declaration of cif_parse in cif.h
874
[21/09/99] PV cmndline.c
1042
[21/09/99] PV cmndline.c
875
1043
In ProcessCharacter()) added ESC (0x1b) character to interrupt
878
[21/09/99] PV command.c
1046
[21/09/99] PV command.c
879
1047
Changed output for one-letter-code sequence in series of 50
880
1048
characters with a space each subgroup of 10.
882
[21/09/99] PV infile.c
1050
[21/09/99] PV infile.c
883
1051
Compiling problems with RasMol 2.7.1 files (VisualC++ 5.0)
884
1052
- explicited all conversions long to short in infile.c /*casting*/
886
[21/09/99] PV pixutils.c
1054
[21/09/99] PV pixutils.c
887
1055
Compiling problems with RasMol 2.7.1 files (VisualC++ 5.0)
888
1056
- fixed casting in drawstar() and clipstar() in pixutils.c
889
1057
Set ARCSIZE to 32768 under MSWIN, allowing drawing cylinders with
890
1058
radii up to 250 RasMol Units. Current implementation gives a maximum
891
1059
of 75 RU at maximum zooming. Mac implementation should be verified.
893
[14/07/99] PV abstree.c transfor.c
1061
[14/07/99] PV abstree.c transfor.c
894
1062
(Adapted from RasTop 1.3) Added shortcuts for direct evaluations
895
1063
of atomsets (BuildAtomSet(), SelectZoneExpr()).
897
[14/07/99] PV abstree.c, transfor.c
1065
[14/07/99] PV abstree.c, transfor.c
898
1066
Added shortcuts for direct evaluations of atomsets (BuildAtomSet(),
899
1067
SelectZoneExpr()); gain up to 15 seconds of computer time on very
900
1068
large molecules.
903
Fixed memory allocation bug in cif_make_handle
1071
Fixed memory allocation bug in cif_make_handle
905
1073
Changes from RasMol 2.7.1 to create RasMol 2.7.2:
908
1076
Updates to comments, resources, etc for preliminary testing
911
[21/08/00] HJB abstree.c, abstree.h
1079
[21/08/00] HJB abstree.c, abstree.h
912
1080
Change type Atom to RAtom to avoid conflicts with X.
913
1081
Offset all uses of xorg, yorg, zorg databse entried with
914
1082
fxorg, fyorg, fzorg database entries for UCB bond
915
1083
rotation. Change char* strings to unsigned char* strings
916
1084
to allow for extra UCB Angstrom and degree symbols.
918
[21/08/00] HJB applemac.c
1086
[21/08/00] HJB applemac.c
919
1087
Change from use of toolbar settings to use of RotMode.
920
1088
Add new "Settings" menu.
922
[21/08/00] HJB cmndline.c
1090
[21/08/00] HJB cmndline.c
923
1091
Adapt GSG code from UCB mods for mouse moves, to make
924
1092
the moves control bond rotation, molecule rotation, or
925
1093
world rotation, but change from use of toolbar settings
926
1094
to use of RotMode
928
[21/08/00] HJB command.c
1096
[21/08/00] HJB command.c
929
1097
Add new error message (ErrNoBond) for "Bond for rotation
930
1098
not picked". Add new parameter for alternate conformer
931
1099
bond waist radius. Adapt to fxorg, etc. offsets. Adapt
1033
1201
tool bar settings. Allow file open when less than
1034
1202
MAX_MOLECULES molecules.
1036
[21/08/00] GSG font.h
1204
[21/08/00] GSG font.h
1037
1205
Add characters for Angstrom and degree as replacements
1038
1206
for vertical bar and tilde.
1040
[16/11/95] GSG render.c, render.h
1208
[16/11/95] GSG render.c, render.h
1041
1209
Add PickBond. Add hooks to draw multiple molecules. Automatically
1042
1210
switch to the molecule of any picked atom. Add monitor for picked
1043
1211
distance, angle or torsion angle.
1045
[14/11/95] GSG transfor.c
1213
[14/11/95] GSG transfor.c
1046
1214
Add hooks for bond rotation and global rotation.
1048
[14/11/95] GSG vector.c, vector.h, wbrotate.c, wbrotate.h
1216
[14/11/95] GSG vector.c, vector.h, wbrotate.c, wbrotate.h
1049
1217
New routines introduced with UCB mods to allow for
1050
1218
bond rotations and global rotation.
1052
[14/11/95] GSG infile.c
1220
[14/11/95] GSG infile.c
1053
1221
Add fxorg, fyorg, fxorg for MDL molecule input only.
1055
[14/11/95] GSG molecule.c, molecule.h
1223
[14/11/95] GSG molecule.c, molecule.h
1056
1224
Add fxorg, fyorg, fxorg and list of bonds to atom database
1057
1225
for world and bond rotation.
1059
[11/11/95] GSG multiple.c, multiple.h
1227
[11/11/95] GSG multiple.c, multiple.h
1060
1228
New routine introduced with UCB mods to allow for
1061
1229
multiple molecules.
1063
[10/11/95] GSG tokens.c,tokens.h
1231
[10/11/95] GSG tokens.c,tokens.h
1064
1232
Add MoleculeTok.
1066
[10/11/95] GSG repres.h
1234
[10/11/95] GSG repres.h
1067
1235
Add flag for units to Monitors.
1069
[09/11/95] GSG command.c, command.h
1237
[09/11/95] GSG command.c, command.h
1070
1238
Add hooks for multiple molecules. Log background
1071
1239
status to allow default white print background.
1072
1240
Add molecule command.
1074
[09/11/95] GSG rasmol.c
1242
[09/11/95] GSG rasmol.c
1075
1243
Add initialisation for multiple molecules.
1079
1247
Changes from RasMol 2.7.1 to create RasMol 2.7.1.1:
1081
[21/01/01] FGR, HJB langsel.c, langsel_mac.c, mswin.c, applemac.c
1249
[21/01/01] FGR, HJB langsel.c, langsel_mac.c, mswin.c, applemac.c
1082
1250
Installed translations for Edit menu on mac and PC
1083
1251
provided by Fernando Gabriel Ranea.
1085
[17/01/01] FGR, HJB langsel.c, langsel_mac.c
1253
[17/01/01] FGR, HJB langsel.c, langsel_mac.c
1086
1254
Corrections to translations by Fernando Gabriel Ranea, installed
1087
1255
by HJB with revisions to menu bar accelerators.
1089
[12/01/01] HJB applemac.c
1257
[12/01/01] HJB applemac.c
1090
1258
Added include of langsel.h. Added routine ReWriteStr255 to rewrite
1091
1259
menu bar items in place and tostr255 to convert other menu items
1092
1260
strings to Pascal form for use in SetmenuItemText. Set up
1308
1474
PDB output, report Info.technique in EXPDTA and reinsert
1309
1475
low-order bits for coordinates.
1311
[10/06/99] HJB abstree.c
1312
Add code to report coordinates for show selected cordinates
1477
[10/06/99] HJB abstree.c
1478
Add code to report coordinates for show selected cordinates
1314
[10/06/99] HJB command.c
1480
[10/06/99] HJB command.c
1315
1481
Recognize new commands, picking coordinates,
1316
1482
show selected cordinates. Update default title produced
1317
1483
by title command.
1319
[10/06/99] HJB molecule.h
1485
[10/06/99] HJB molecule.h
1320
1486
Add new Info fields for date and technique. Extend
1321
1487
identcode to 80 columns. Add CRD to Selection enum type.
1322
1488
Add prototype for ReviseTitle.
1324
[10/06/99] HJB render.h, render.c
1490
[10/06/99] HJB render.h, render.c
1325
1491
Add code to report coordinates for picking coordinates,
1326
1492
define PickCoord symbol.
1328
[10/06/99] HJB tokens.h, tokens.c
1494
[10/06/99] HJB tokens.h, tokens.c
1329
1495
Add code recognize COORD, COORDS, COORDINATE, COORDINATES for
1330
1496
new CoordTok, DATA_... for CIFDataTok, HEADER for HeaderTok
1332
[09/06/99] HJB molecule.c
1498
[09/06/99] HJB molecule.c
1333
1499
Put PDB entry ID and EXPDTA info into canvas title, report
1334
1500
EXPDTA data from Info.technique on reading file.
1336
[06/06/99] HJB infile.c
1502
[06/06/99] HJB infile.c
1337
1503
Restore the origin on PDB and other outputs.
1339
[06/06/99] HJB script.c
1505
[06/06/99] HJB script.c
1340
1506
Change script output to include centering and
1341
1507
change various coordinate outputs to restore
1342
1508
origins the z-axis orientation.
1344
[06/06/99] HJB command.c
1510
[06/06/99] HJB command.c
1345
1511
Add command centre [CenX,CenY,CenZ] to center by offsets
1346
1512
from centre of gravity.
1348
[03/06/99] HJB render.c
1514
[03/06/99] HJB render.c
1349
1515
Remove call to TranslateToCentre, hold centering
1350
1516
in CenX, CenY and CenZ, decoupled from dials,
1351
1517
add RFRotate to ReDrawFlag on centering. Thanks to
1352
1518
Bohdan Schneider for pointing out the problems with
1355
[03/06/99] HJB transfor.c
1521
[03/06/99] HJB transfor.c
1356
1522
Remove TranslateToCentre, remove processing of CenX,
1357
1523
CenY and CenZ from dial values, and put it into
1358
1524
computation of ptr->x,y,z
1360
1526
Changes after release of RasMol_2.7.0.1:
1362
[27/04/99] HJB README.html, Changelog.html, INSTALL.html, manual
1528
[27/04/99] HJB README.html, Changelog.html, INSTALL.html, manual
1363
1529
Add navigation links at top and bottom of each page.
1364
1530
Add links for gzipped versions of raswin.hlp, rasmol.hlp.
1365
1531
Thanks to E. Martz and Kjeld Olesen.
1367
[27/04/99] HJB INSTALL.html, manual
1533
[27/04/99] HJB INSTALL.html, manual
1368
1534
Replace empty copy of INSTALL.html in doc/, correct
1369
1535
embedded html in manual. Thanks to Kurt Giles.
1371
1537
Changes from RasMol_2.7.0 to create RasMol_2.7.0.1:
1375
1541
Announce RasMol 2.7.0.1 on pdb-l@rcsb.org,
1376
1542
rasmol@lists.umass.edu, mmciflist@ndbdev.rutgers.edu
1378
[11/04/99] HJB *.c, *.h
1544
[11/04/99] HJB *.c, *.h
1379
1545
Update all comment blocks for new version and date
1381
[11/04/99] HJB abstree.h
1547
[11/04/99] HJB abstree.h
1382
1548
Realign Pred... to agree with ...Tok to correct
1383
1549
misaligned introduced by HJB (not AM) during merge of 2.6x1
1386
[11/04/99] HJB tokens.h
1552
[11/04/99] HJB tokens.h
1387
1553
Fix definition of IsPredTok
1389
[09/04/99] HJB molecule,h
1555
[09/04/99] HJB molecule,h
1390
1556
Make residue identification case-insensitive.
1394
Changes from RasMol_2.6.4, RasMol2.6x1 and RasMol_2.6_CIF.2 to create
1560
Changes from RasMol_2.6.4, RasMol2.6x1 and RasMol_2.6_CIF.2 to create RasMol_2.7.0:
1398
1563
Cleanup and release of version 2.7.0
1400
[23/03/99] HJB abstree.c
1565
[23/03/99] HJB abstree.c
1401
1566
Add code to select on alternate conformers. Increase
1402
1567
accuracy of torsion angle calculation.
1404
[23/03/99] HJB command.c, command.h
1569
[23/03/99] HJB command.c, command.h
1405
1570
Make InitHelpFile generally available, change to
1406
1571
WriteString for reporting CisBondCutOff for use on mac,
1407
1572
report models on show selected.
1409
[23/03/99] HJB rasmol.c, raswin.c, rasmac.c
1574
[23/03/99] HJB rasmol.c, raswin.c, rasmac.c
1410
1575
Add suggestion for help notice to initial text lines.
1412
[23/03/99] HJB script.c
1577
[23/03/99] HJB script.c
1413
1578
In order to support mac introduce WriteBuffer and
1414
1579
change all fprintf(outFile, ... to WriteBuffer, provide
1415
1580
code from fisipl for Ramachandran printer plot. Handle
1416
1581
signs of torsion angles. Thanks to F. C. Bernstein.
1418
[23/03/99] HJB tokens.h, tokens.c
1583
[23/03/99] HJB tokens.h, tokens.c
1419
1584
Add RamPrintTok, RPP, RDF, etc., hook POVRAY3 to the
1420
1585
new POVray code.
1422
[20/03/99] HJB *.h, *.c
1587
[20/03/99] HJB *.h, *.c
1423
1588
In general, the RasMol_2.6_CIF.2 version was used as a base
1424
1589
and upgraded with the RasMol_2.6.4 changes. The exceptions
1427
[20/03/99] HJB infile.c
1592
[20/03/99] HJB infile.c
1428
1593
Cell parameters are read with the double routine ReadDecValue
1429
1594
from 2.6_CIF.2, rather than ReadValue2 from 2.6.4
1433
1598
Changes from RasMol_2.6 to create RasMol_2.6x1:
1435
[15/2/98] AM abstree.c, abstree.h
1600
[15/2/98] AM abstree.c, abstree.h
1436
1601
Add PredCisBond, DescribeObj, CalcPhiAngle, CalcPsiAngle,
1437
1602
CalcOmegaAngle, shift torsion angle calculations 180
1440
[15/2/98] AM command.c
1605
[15/2/98] AM command.c
1441
1606
Add FindCisBonds, CisBondCutOff, show of selected chains,
1442
1607
groups, atoms, show and write of phi-psi angles
1444
[15/2/98] AM molecule.h, molecule.c
1609
[15/2/98] AM molecule.h, molecule.c
1445
1610
Add CIS bond logic
1447
[15/2/98] AM rasmol.h, rasmol.c
1612
[15/2/98] AM rasmol.h, rasmol.c
1448
1613
Add USE_FD_SET_TYPE option
1450
[15/2/98] AM script.h, script.c
1615
[15/2/98] AM script.h, script.c
1451
1616
Add WritePhiPsiAngles, code for POV-Ray version 3
1454
[15/2/98] AM tokens.h
1619
[15/2/98] AM tokens.h
1455
1620
Add CisBondedTok, RamachanTok, CisAngleTok, PhiPsiTok,
1456
1621
define PHIPSI, CISANGLE, RAMACHAN, CISBONDED
1458
1623
Changes from RasMol_2.6 to create RasMol_2.6.4:
1460
[8/2/99] RS command.c, rasmol.c, scripts.c, rastxt.c, raswin.c
1625
[8/2/99] RS command.c, rasmol.c, scripts.c, rastxt.c, raswin.c
1462
1627
Final fixup and release of version 2.6.4
1464
[27/12/98] RS *.h, *.c
1629
[27/12/98] RS *.h, *.c
1465
1630
Remove all non-ANSI-C prototypes and ensure use of ( void )
1466
1631
for empty argument lists. Upgrade all procedure delcarations.
1467
1632
Convert to use of MSWIN.
1469
[27/12/98] RS abstree.c
1634
[27/12/98] RS abstree.c
1470
1635
Redo torsion angel calculation.
1473
[27/12/98] RS applemac.c
1638
[27/12/98] RS applemac.c
1474
1639
Convert to Apple's new routine names
1476
[27/12/98] RS cmndline.c, cmndline.h
1641
[27/12/98] RS cmndline.c, cmndline.h
1477
1642
New routine for mouse, keyboard, dials
1479
[27/12/98] RS command.c, command.h
1644
[27/12/98] RS command.c, command.h
1480
1645
Move routines for mouse, keyboard, dials to cmndline.c.
1481
1646
Redo ParseColour. Reorganize command parsing
1483
[27/12/98] RS infile.c
1648
[27/12/98] RS infile.c
1484
1649
Change references to MMIO to MMIOLIB. Pass fp and buffer
1485
1650
to FetchRecord as argument. Add ReadValue2, ProcessPDBBond,
1486
1651
ProcessPDBUnitCell. Fix recognition of END. Use
1487
1652
InvalidateCmndline and UnusedArgument. Write MODEL and
1488
1653
ENDMDL records when appropriate
1490
[27/12/98] RS molecule.c
1655
[27/12/98] RS molecule.c
1491
1656
Reorganize FindResNo as a character-oriented search tree
1494
[27/12/98] RS rasmac.c
1659
[27/12/98] RS rasmac.c
1495
1660
Convert to Apple's new routine names
1497
[27/12/98] RS rastxt.c
1662
[27/12/98] RS rastxt.c
1498
1663
New text-only main program
1500
[27/12/98] RS repres.c
1665
[27/12/98] RS repres.c
1501
1666
Add LabelTermnii
1503
[27/12/98] RS tranfor.c
1668
[27/12/98] RS tranfor.c
1504
1669
Add TranslateToCentre
1506
[27/12/98] RS transfor.h
1671
[27/12/98] RS transfor.h
1507
1672
Reorganize the logic defining DefaultAmbient, making
1508
1673
the default value 0.4 instead of 0.6, except for E&S, which
1511
[27/12/98] RS tokens.c
1676
[27/12/98] RS tokens.c
1512
1677
New routine for character-oriented search tree for tokens.
1514
[01/08/97] RS infile.c
1679
[01/08/97] RS infile.c
1515
1680
Decreased the maximum valid alpha carbon to alpha carbon
1516
1681
distance to 4.2 Angstroms from 7.0 Angstroms. Thanks to
1517
1682
Kostas Sfyrakis and Harren Jhoti.
1519
[15/04/97] RS molecule.c repres.c
1684
[15/04/97] RS molecule.c repres.c
1520
1685
Fixed a bizarre feature in the OpenVMS compiler that complained
1521
1686
about "a=*b" as "=*" operator is an obsoltete form and may not
1522
1687
be portable. Special thanks to Remington Stone.
1524
[28/11/96] RS rasmol.h rasmol.c
1689
[28/11/96] RS rasmol.h rasmol.c
1525
1690
Several minor fixes to compile RasMol under VMS. Special
1526
1691
thanks to Adam Ralph (and CCP4).
1529
1694
Changes from RasMol_2.6_CIF(Rev 1) to create RasMol_2.6_CIF(Rev 2):
1531
[24/2/99] HJB Release of RasMol_2.6_CIF(Rev 2) at
1696
[24/2/99] HJB Release of RasMol_2.6_CIF(Rev 2) at
1532
1697
http://www/bernstein-plus-sons.com/software/rasmol
1533
1698
and announce to mailing lists.
1536
1701
Add prototypes of cif_make_handle, cif_read_file,
1537
1702
cif_make_file, cif_save_character to avoid compiler warnings
1539
[21/2/99] HJB cif_ctonum.c
1704
[21/2/99] HJB cif_ctonum.c
1540
1705
Remove unneeded values.h
1542
[21/2/99] HJB cif_ctonum.h
1707
[21/2/99] HJB cif_ctonum.h
1543
1708
Correct prototype
1545
[21/2/99] HJB infile.c
1710
[21/2/99] HJB infile.c
1546
1711
Add cif_ctonum.h, define LoadCIFMolecule prototype,
1547
1712
initialize ch, add return to avoid compiler warnings.
1549
[21/2/99] HJB abstree.c, cif.c, cif_ctonum.c, command.c,
1714
[21/2/99] HJB abstree.c, cif.c, cif_ctonum.c, command.c,
1550
1715
infile.c, molecule.c
1551
1716
Use string_case.h instead of <strings.h> for IBMPC,
1552
1717
VMS and APPLEMAC.
1554
[21/2/99] HJB rasmol.h
1719
[21/2/99] HJB rasmol.h
1555
1720
Update version, add some definitions from R. Sayle's
1556
1721
2.6.4 in preparation for 2.7.0.
1558
[21/2/99] HJB rasmac.c, rasmol.c, raswin.c
1723
[21/2/99] HJB rasmac.c, rasmol.c, raswin.c
1559
1724
Update reported date on startup.
1561
[21/2/99] HJB render.c
1726
[21/2/99] HJB render.c
1562
1727
Add cif_fract.h to avoid compiler warnings.
1564
[21/2/99] HJB string_case.c
1729
[21/2/99] HJB string_case.c
1565
1730
Replace garbled version, provide string_case.h.
1567
[21/2/99] HJB script.c
1732
[21/2/99] HJB script.c
1568
1733
Initialize first, last, radius, to avoid compiler warnings
1570
[21/2/99] HJB transfor.c
1735
[21/2/99] HJB transfor.c
1571
1736
Initialize min and max to avoid compiler warnings.
1573
[10/1/99] HJB Release of RasMol_2.6_CIF(Rev 1) at
1738
[10/1/99] HJB Release of RasMol_2.6_CIF(Rev 1) at
1574
1739
http://www.bernstein-plus-sons.com/software/rasmol
1575
1740
and announce to mmCIF mailing list.
1578
Change toupper calls to ToUpper calls.
1743
Change toupper calls to ToUpper calls.
1580
[8/1/99] HJB command.c
1745
[8/1/99] HJB command.c
1581
1746
Add argument to CreateMoleculeBonds to force zapping
1584
[8/1/99] HJB infile.c
1749
[8/1/99] HJB infile.c
1585
1750
Log requested bonds which cannot be made in NullBonds
1586
1751
and report to users, add RightJustify to right-justify
1587
1752
residue names, recognize _atom_site_disorder_group
1588
1753
for small molecule alternate conformerse, recognize bonds
1589
1754
which don't have either atom names or atom numbers.
1591
[8/1/99] HJB molecule.c
1756
[8/1/99] HJB molecule.c
1592
1757
Add argument to CreateMoleculeBonds to force zapping
1595
[8/1/99] HJB molecule.h
1760
[8/1/99] HJB molecule.h
1596
1761
Add argument to CreateMoleculeBonds to force zapping
1597
1762
on connect, add NullBonds to log requested bonds which
1600
[8/1/99] HJB mswin31.c
1765
[8/1/99] HJB mswin31.c
1601
1766
Use VERSION to construct window title.
1603
[8/1/99] HJB outfile.c
1768
[8/1/99] HJB outfile.c
1604
1769
Use VERSION to construct Postscript output file header.
1606
[8/1/99] HJB rasmac.c
1607
Use VERSION to report version on startup.
1609
[8/1/99] HJB rasmol.c
1610
Use VERSION to report version on startup.
1612
[8/1/99] HJB raswin.c
1613
Use VERSION to report version on startup.
1615
[8/1/99] HJB script.c
1771
[8/1/99] HJB rasmac.c
1772
Use VERSION to report version on startup.
1774
[8/1/99] HJB rasmol.c
1775
Use VERSION to report version on startup.
1777
[8/1/99] HJB raswin.c
1778
Use VERSION to report version on startup.
1780
[8/1/99] HJB script.c
1616
1781
Use VERSION to construct various output file headers.
1618
[8/1/99] HJB x11win.c
1783
[8/1/99] HJB x11win.c
1619
1784
Use VERSION to construct window title.
1622
1787
Changes from RasMol_2.6 to create RasMol_2.6_CIF:
1625
[22/12/98] HJB Preliminary release of RasMol_2.6_CIF at
1790
[22/12/98] HJB Preliminary release of RasMol_2.6_CIF at
1626
1791
http://www.bernstein-plus-sons.com/software/rasmol
1628
[19/12/98] HJB command.c
1793
[19/12/98] HJB command.c
1629
1794
correct handling of internal help files under windows,
1630
1795
and allow for unix help files on a mac.
1632
[18/12/98] HJB Makefile.in, Imakefile
1797
[18/12/98] HJB Makefile.in, Imakefile
1633
1798
Update for CIF support.
1635
[09/12/98] HJB infile.c
1800
[09/12/98] HJB infile.c
1636
1801
Cummulative changes for fractional coordinates,
1639
[09/12/98] HJB command.c
1804
[09/12/98] HJB command.c
1640
1805
Changes for alt, model labels, colour schemes,
1643
[09/12/98] HJB molecule.h
1644
Cummulative changes for fractional coordinates,
1645
new colour schemes, CIF.
1647
[09/12/98] HJB molecule.c
1648
Cummulative changes for fractional coordinates,
1649
new colour schemes, CIF.
1650
[09/12/98] HJB x11win.c
1808
[09/12/98] HJB molecule.h
1809
Cummulative changes for fractional coordinates,
1810
new colour schemes, CIF.
1812
[09/12/98] HJB molecule.c
1813
Cummulative changes for fractional coordinates,
1814
new colour schemes, CIF.
1815
[09/12/98] HJB x11win.c
1651
1816
Update comments, menus and version text.
1653
[09/12/98] HJB mswin31.c
1654
Update comments, output file commentary.
1656
[09/12/98] HJB outfile.c
1657
Update comments, output file commentary.
1659
[09/12/98] HJB script.c
1660
Update comments, output file commentary.
1662
[09/12/98] HJB rasmol.c
1663
Update comments, output file commentary.
1665
[04/12/98] HJB pixutils.c
1818
[09/12/98] HJB mswin31.c
1819
Update comments, output file commentary.
1821
[09/12/98] HJB outfile.c
1822
Update comments, output file commentary.
1824
[09/12/98] HJB script.c
1825
Update comments, output file commentary.
1827
[09/12/98] HJB rasmol.c
1828
Update comments, output file commentary.
1830
[04/12/98] HJB pixutils.c
1666
1831
Update comments, code to stripe bonds for alternate
1669
[04/12/98] HJB pixutils.h
1834
[04/12/98] HJB pixutils.h
1670
1835
Update comments, protytpes to stripe bonds for alternate
1673
[04/12/98] HJB rasmac.c
1674
Update comments, adjust code for current Metrowerks
1677
[04/12/98] HJB raswin.c
1678
Update comments, adjust code for current Metrowerks
1681
[04/12/98] HJB tokens.h
1838
[04/12/98] HJB rasmac.c
1839
Update comments, adjust code for current Metrowerks
1842
[04/12/98] HJB raswin.c
1843
Update comments, adjust code for current Metrowerks
1846
[04/12/98] HJB tokens.h
1682
1847
Update comments, tokens for alt, model colours.
1684
[04/12/98] HJB transfor.c
1849
[04/12/98] HJB transfor.c
1685
1850
Update comments, add code for alt, model colours.
1687
[04/12/98] HJB transfor.h
1852
[04/12/98] HJB transfor.h
1688
1853
Update comments, prototypes for alt, model colours.
1690
[23/11/98] HJB abstree.c
1855
[23/11/98] HJB abstree.c
1691
1856
Add code for %A, %M specifiers, divide u/l case.
1693
[22/11/98] HJB cif_fract.c
1858
[22/11/98] HJB cif_fract.c
1694
1859
New routine, derived from cif2pdb by H.J. Bernstein
1695
and F. C. Bernstein.
1860
and F. C. Bernstein.
1697
[22/11/98] HJB cif_fract.h.
1862
[22/11/98] HJB cif_fract.h.
1698
1863
New header for cif_fact.c.
1700
[22/11/98] HJB cif_stx.c
1865
[22/11/98] HJB cif_stx.c
1701
1866
New routine, derived from P. Ellis CBFlib parser.
1703
[23/11/98] HJB render.c
1704
Update comments, add code to stripe bonds for alternate
1707
[23/11/98] HJB repres.c
1708
Update comments, add code to stripe bonds for alternate
1711
[09/09/98] HJB cif_ctonum.c
1868
[23/11/98] HJB render.c
1869
Update comments, add code to stripe bonds for alternate
1872
[23/11/98] HJB repres.c
1873
Update comments, add code to stripe bonds for alternate
1876
[09/09/98] HJB cif_ctonum.c
1712
1877
New routine, derived from ciftbx by S. R. Hall
1713
and H. J. Bernstein.
1878
and H. J. Bernstein.
1715
[09/09/98] HJB cif_ctonum.h
1880
[09/09/98] HJB cif_ctonum.h
1716
1881
New header for cif_ctonum.c.
1718
[18/08/98] HJB cif.h
1883
[18/08/98] HJB cif.h
1719
1884
New header for cif.c, derived from CBFlib by P. Ellis
1720
1885
and H. J. Bernstein.
1722
[18/08/98] HJB cif.c
1887
[18/08/98] HJB cif.c
1723
1888
New routine derived from CBFlib by P. Ellis and
1724
1889
H. J. Bernstein.
1726
[14/08/98] HJB rasmol.c
1891
[14/08/98] HJB rasmol.c
1727
1892
Added hooks for termio for Linux. These changes
1728
1893
are similar to, but not identical to the FreeBSD hooks.
1729
1894
See the linux conditionals. -- H. J. Bernstein
1733
1898
The complete version 2 change history is in the directory ChangeLog
1735
----------------------------------------------------------------------
1737
| OpenRasMol | Copying and Distribution | Contents | Installation Instructions |
1738
| Changes | Things To Do | Introduction | Source Code and Binaries |
1739
| RasMol Manual | Spanish Translation of RasMol Manual | Italian Translation of
1741
| Donate to Support RasMol | Release README | Register your RasMol |
1743
----------------------------------------------------------------------
1745
Updated 20 March 2008.
1900
-----------------------------------------------------------------------------------------
1902
| OpenRasMol | Copying and Distribution | Contents | Installation Instructions |
1903
| Changes | Things To Do | Introduction | Source Code and Binaries |
1904
| RasMol Manual | Spanish Translation of RasMol Manual | Italian Translation of RasMol Help
1906
| Donate to Support RasMol | Release README | Register your RasMol |
1908
-----------------------------------------------------------------------------------------
1910
Updated 19 July 2009.
1746
1911
Herbert J. Bernstein
1747
1912
Bernstein + Sons, 5 Brewster Lane, Bellport, NY 11713-2803, USA
1748
1913
yaya@bernstein-plus-sons.com
1918
. http://www.iucr.org/iucr-top/welcome.html
1919
. http://www.iucr.org/iucr-top/cif/home.html
1920
. file:///usr/public_ftp/yaya/software/rasmol-2.7.5-17Jul09/README.html
1921
. http://www.openrasmol.org/
1922
. file:///usr/public_ftp/yaya/software/rasmol-2.7.5-17Jul09/README.html#Copying
1923
. file:///usr/public_ftp/yaya/software/rasmol-2.7.5-17Jul09/README.html#Contents
1924
. file:///usr/public_ftp/yaya/software/rasmol-2.7.5-17Jul09/INSTALL.html
1925
. file:///usr/public_ftp/yaya/software/rasmol-2.7.5-17Jul09/ChangeLog.html
1926
. file:///usr/public_ftp/yaya/software/rasmol-2.7.5-17Jul09/TODO.html
1927
. file:///usr/public_ftp/yaya/software/rasmol-2.7.5-17Jul09/README.html#Introduction
1928
. file:///usr/public_ftp/yaya/software/rasmol-2.7.5-17Jul09/README.html#CodeAndBinaries
1929
. file:///usr/public_ftp/yaya/software/rasmol-2.7.5-17Jul09/doc/rasmol.html
1930
. file:///usr/public_ftp/yaya/software/rasmol-2.7.5-17Jul09/doc/esrasmol27.html
1931
. file:///usr/public_ftp/yaya/software/rasmol-2.7.5-17Jul09/doc/itrasmol.hlp
1932
. http://www.rasmol.org/donate.shtml
1933
. file:///usr/public_ftp/yaya/software/rasmol-2.7.5-17Jul09/README.html
1934
. http://www.rasmol.org/register.shtml
1935
. http://www.rasmol.org/software/RasMol_Latest_Windows_Installer.exe
1936
. http://www.rasmol.org/software/RasMol_Latest.tar.gz
1937
. http://www.rasmol.org/software/RasMol_Latest_Manual.html
1938
. http://www.rasmol.org/donate.shtml
1939
. http://www.rasmol.org/register.shtml
1940
. http://www.rasmol.org/software/RasMol_2.7.5_Windows_Installer.exe
1941
. http://www.rasmol.org/software/RasMol_2.7.5.tar.gz
1942
. http://www.rasmol.org/software/RasMol_2.7.5_Manual.html
1943
. http://www.rasmol.org/donate.shtml
1944
. http://www.rasmol.org/register.shtml
1945
. file:///usr/public_ftp/yaya/software/rasmol-2.7.5-17Jul09/doc/NOTICE.html
1946
. file:///usr/public_ftp/yaya/software/rasmol-2.7.5-17Jul09/ChangeLog/
1947
. http://www.openrasmol.org/
1948
. file:///usr/public_ftp/yaya/software/rasmol-2.7.5-17Jul09/README.html#Copying
1949
. file:///usr/public_ftp/yaya/software/rasmol-2.7.5-17Jul09/README.html#Contents
1950
. file:///usr/public_ftp/yaya/software/rasmol-2.7.5-17Jul09/INSTALL.html
1951
. file:///usr/public_ftp/yaya/software/rasmol-2.7.5-17Jul09/ChangeLog.html
1952
. file:///usr/public_ftp/yaya/software/rasmol-2.7.5-17Jul09/TODO.html
1953
. file:///usr/public_ftp/yaya/software/rasmol-2.7.5-17Jul09/README.html#Introduction
1954
. file:///usr/public_ftp/yaya/software/rasmol-2.7.5-17Jul09/README.html#CodeAndBinaries
1955
. file:///usr/public_ftp/yaya/software/rasmol-2.7.5-17Jul09/doc/rasmol.html
1956
. file:///usr/public_ftp/yaya/software/rasmol-2.7.5-17Jul09/doc/esrasmol27.html
1957
. file:///usr/public_ftp/yaya/software/rasmol-2.7.5-17Jul09/doc/itrasmol.hlp
1958
. http://www.rasmol.org/donate.shtml
1959
. file:///usr/public_ftp/yaya/software/rasmol-2.7.5-17Jul09/README.html
1960
. http://www.rasmol.org/register.shtml