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Committer: Morten Kjeldgaard
Date: 2015-04-19 21:08:03 UTC
Revision ID: mok0@ubuntu.com-20150419210803-o5xw9g0d60722oj8

Tags: mmdb-1.25.6.1

Incorporate upstream updates version 1.25.5. Add fink .info file.

files added:
mmdb.info.in

files modified:
Makefile.am

configure.ac

src/bfgs_min.cpp

src/bfgs_min.h

src/file_.cpp

src/file_.h

src/linalg_.cpp

src/linalg_.h

src/mattype_.cpp

src/mattype_.h

src/mmdb_align.cpp

src/mmdb_align.h

src/mmdb_atom.cpp

src/mmdb_atom.h

src/mmdb_bondmngr.h

src/mmdb_chain.cpp

src/mmdb_chain.h

src/mmdb_cifdefs.h

src/mmdb_coormngr.cpp

src/mmdb_coormngr.h

src/mmdb_cryst.cpp

src/mmdb_cryst.h

src/mmdb_defs.h

src/mmdb_file.cpp

src/mmdb_file.h

src/mmdb_graph.cpp

src/mmdb_graph.h

src/mmdb_manager.cpp

src/mmdb_manager.h

src/mmdb_mask.h

src/mmdb_mmcif.cpp

src/mmdb_mmcif.h

src/mmdb_model.cpp

src/mmdb_model.h

src/mmdb_rwbrook.cpp

src/mmdb_sbase.h

src/mmdb_sbase0.cpp

src/mmdb_sbase0.h

src/mmdb_selmngr.cpp

src/mmdb_selmngr.h

src/mmdb_symop.cpp

src/mmdb_symop.h

src/mmdb_tables.cpp

src/mmdb_tables.h

src/mmdb_title.cpp

src/mmdb_title.h

src/mmdb_uddata.h

src/mmdb_utils.cpp

src/mmdb_utils.h

src/mmdb_xml.cpp

src/mmdb_xml.h

src/random_n.h

src/stream_.h

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src/mmdb_cryst.h

// =================================================================

// 08.07.08 <-- Date of Last Modification.

// 06.02.13 <-- Date of Last Modification.

// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~

// -----------------------------------------------------------------

// CTVect ( translation vector class )

// CMMDBCryst ( MMDB cryst. section class )

// (C) E. Krissinel 2000-2008

// (C) E. Krissinel 2000-2013

// =================================================================

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// ================= CMMDBCryst =======================

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DefineClass(CMMDBCryst)

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DefineStreamFunctions(CMMDBCryst)

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DefineClass(CMMDBCryst);

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DefineStreamFunctions(CMMDBCryst);

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// constants for the CellCheck field

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#define CCHK_Ok 0x00000000

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// 0x1000 - the check was not done

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word WhatIsSet; // indicator of the fields set

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Boolean ignoreScalei; // flag to ignore SCALEi cards

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Boolean processSG; // flag to process space group at file

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// read

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Boolean fixSpaceGroup; // flag to fix space group at file read

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CMMDBCryst ();

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CMMDBCryst ( RPCStream Object );

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// successfully converted, otherwise returns a non-negative value

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// of Error_XXXX.

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// PDBString must be not shorter than 81 characters.

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int ConvertPDBString ( pstr PDBString, Boolean fixSpaceGroup );

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int ConvertPDBString ( pstr PDBString );

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// RWBROOKReadPrintout() may be invoked after reading PDB file

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// for simulating the old RWBROOK messages and warnings

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// A PDB ASCII dump

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void PDBASCIIDump ( RCFile f );

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int GetCIF ( PCMMCIFData CIF, Boolean fixSpaceGroup );

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int GetCIF ( PCMMCIFData CIF );

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void MakeCIF ( PCMMCIFData CIF );

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Boolean areMatrices(); // returns True if the orthogonal-to-

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