BioD PNPI Git Repos - alexxy/gromacs.git/history

biod.pnpi.spb.ru / alexxy / gromacs.git / history

[alexxy/gromacs.git] / src / gmxlib / pdbio.c

2012-10-01	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw
2012-09-27	Teemu Murtola	Merge "Fix insolidangle selections near poles." into...	blob \| commitdiff \| raw \| diff to current
2012-09-25	Christoph Junghans	Merge "Fix REMD use of gmx_large_int_t for #steps varia...	blob \| commitdiff \| raw \| diff to current
2012-09-24	Teemu Murtola	Add pdbname selection keyword.	blob \| commitdiff \| raw \| diff to current
2012-09-15	Kasson	Merge "Fix some memory leaks." into release-4-5-patches	blob \| commitdiff \| raw \| diff to current
2012-09-13	Teemu Murtola	Fix some memory leaks.	blob \| commitdiff \| raw \| diff to current
2012-09-03	Szilard Pall	Merge branch 'release-4-5-patches' into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-07-13	Roland Schulz	Merge release-4.5-patches into HEAD	blob \| commitdiff \| raw \| diff to current
2012-06-01	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-05-07	Teemu Murtola	Merge branch 'gerrit/release-4-5-patches' into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-04-29	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-04-29	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-04-26	Berk Hess	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-04-03	Roland Schulz	Merge remote-tracking branch 'gerrit/release-4-5-patche...	blob \| commitdiff \| raw \| diff to current
2012-03-28	Szilard Pall	Merge branch 'release-4-5-patches' into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-03-16	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-03-15	Roland Schulz	Fix most errors found by cppcheck	blob \| commitdiff \| raw \| diff to current
2011-05-05	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2011-04-04	David van der Spoel	Merge branch 'release-4-5-patches' into orderparm	blob \| commitdiff \| raw \| diff to current
2011-03-11	Sander Pronk	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2011-03-11	Berk Hess	fixed memory error in element setting in pdbio	blob \| commitdiff \| raw \| diff to current
2011-03-05	David van der Spoel	Merge branch 'release-4-5-patches' of git@git.gromacs...	blob \| commitdiff \| raw \| diff to current
2011-02-24	Berk Hess	pdb model numbers now start at 1	blob \| commitdiff \| raw \| diff to current
2011-01-30	David van der Spoel	Merge branch 'release-4-5-patches' into orderparm	blob \| commitdiff \| raw \| diff to current
2010-09-14	David van der Spoel	Fixed bug 553 by checking whether an atom name is longe...	blob \| commitdiff \| raw \| diff to current
2010-08-25	Rossen Apostolov	Redefine the default boolean type to gmx_bool.	blob \| commitdiff \| raw \| diff to current
2010-08-23	Rossen Apostolov	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-08-22	Erik Lindahl	Replaced all occurences of str(n)casecmp with gmx_str...	blob \| commitdiff \| raw \| diff to current
2010-08-17	Michael Shirts	Merge branch 'release-4-5-patches' of git@git.gromacs...	blob \| commitdiff \| raw \| diff to current
2010-08-12	Rossen Apostolov	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-08-12	Erik Lindahl	Removed extra TER records after chains we think are...	blob \| commitdiff \| raw \| diff to current
2010-08-02	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	blob \| commitdiff \| raw \| diff to current
2010-08-02	Erik Lindahl	Modified TER record writing behaviour (only add after...	blob \| commitdiff \| raw \| diff to current
2010-07-27	Erik Lindahl	Modified PDB io code to merely store the chain _identif...	blob \| commitdiff \| raw \| diff to current
2010-07-10	Michael Shirts	Fixed minor formatting conflict.	blob \| commitdiff \| raw \| diff to current
2010-07-02	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-07-01	Sander Pronk	More thread safety fixes in gmxlib.	blob \| commitdiff \| raw \| diff to current
2010-06-09	Gerrit Groenhof	Merge branch 'master' into qmmm	blob \| commitdiff \| raw \| diff to current
2010-05-19	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-05-19	David van der Spoel	Added check in read_pdb for existence of t_resinfo...	blob \| commitdiff \| raw \| diff to current
2010-04-27	Berk Hess	resolved merge conflicts	blob \| commitdiff \| raw \| diff to current
2010-04-06	David van der Spoel	Revert "Added argument rtpname to t_atoms_set_resinfo...	blob \| commitdiff \| raw \| diff to current
2010-04-06	David van der Spoel	Added argument rtpname to t_atoms_set_resinfo to avoid...	blob \| commitdiff \| raw \| diff to current
2010-03-02	Roland Schulz	Merge branch 'release-4-0-patches'	blob \| commitdiff \| raw \| diff to current
2010-02-06	David van der Spoel	Replaced two strcpy by strncpy in pdbio.c to prevent...	blob \| commitdiff \| raw \| diff to current
2010-02-05	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-02-03	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2010-02-01	Berk Hess	TER entries in pdb file now get translated into chain...	blob \| commitdiff \| raw \| diff to current
2009-09-23	Michael Shirts	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-09-14	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-09-14	David van der Spoel	Merge branch 'master' of git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-09-12	Roland Schulz	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-09-09	Michael Shirts	Merge branch 'master' of git://git.gromacs.org/gromacs	blob \| commitdiff \| raw \| diff to current
2009-09-09	Sander Pronk	Made former atoi (atoi is not thread-safe) strtols...	blob \| commitdiff \| raw \| diff to current
2009-08-30	kasson	Tool merge	blob \| commitdiff \| raw \| diff to current
2009-08-27	David van der Spoel	Merge branch 'master' of git@git.gromacs.org:gromacs	blob \| commitdiff \| raw \| diff to current
2009-08-21	Sander Pronk	Merge branch 'thread_mpi'. Threads should work for...	blob \| commitdiff \| raw \| diff to current
2009-06-27	Sander Pronk	atoi/atof are not thread-safe: replaced all instances...	blob \| commitdiff \| raw \| diff to current
2009-06-04	Erik Lindahl	Removed Id tags from master branch since they will...	blob \| commitdiff \| raw \| diff to current
2009-06-03	teemu	Fixed more compiler errors and warnings for C/C++ compa...	blob \| commitdiff \| raw \| diff to current
2009-06-03	hess	updated for C++ compilation	blob \| commitdiff \| raw \| diff to current
2009-06-03	teemu	Improved compilation (no errors, less warnings) of...	blob \| commitdiff \| raw \| diff to current
2009-04-10	spoel	Added support for writing CONECT records to pdb files...	blob \| commitdiff \| raw \| diff to current
2009-04-10	spoel	Added check for chain id that is zero	blob \| commitdiff \| raw \| diff to current
2009-04-06	spoel	Updated	blob \| commitdiff \| raw \| diff to current
2009-03-17	spoel	Fixed writing of elements in column 77/78	blob \| commitdiff \| raw \| diff to current
2009-03-16	spoel	Added extra field elem in atom record. This does not...	blob \| commitdiff \| raw \| diff to current
2009-03-06	hess	added t_resinfo struct to t_atoms which contains the...	blob \| commitdiff \| raw \| diff to current
2009-02-28	spoel	Updated	blob \| commitdiff \| raw \| diff to current
2008-10-16	hess	fixed bug in ePBC assignment which also caused a compil...	blob \| commitdiff \| raw \| diff to current
2008-10-16	hess	fixed bug in ePBC assignment which also caused a compil...	blob \| commitdiff \| raw \| diff to current
2008-10-10	lindahl	Merged in changes from final 4.0 release into head...	blob \| commitdiff \| raw \| diff to current
2008-10-08	lindahl	Fixed pdb format for 4-char atom names, so that the...	blob \| commitdiff \| raw \| diff to current
2008-09-19	lindahl	Implemented automatic renaming and optional appending...	blob \| commitdiff \| raw \| diff to current
2008-06-27	hess	made atomprop only read a particular database when...	blob \| commitdiff \| raw \| diff to current
2008-06-27	hess	limited the long atom name warnings to 20	blob \| commitdiff \| raw \| diff to current
2008-04-18	spoel	Updated	blob \| commitdiff \| raw \| diff to current
2008-03-28	spoel	Removed library file reading from pdb reading	blob \| commitdiff \| raw \| diff to current
2008-03-11	hess	implemented screw pbc	blob \| commitdiff \| raw \| diff to current
2008-02-15	spoel	Added extra field in the t_atom struct containing atom...	blob \| commitdiff \| raw \| diff to current
2007-07-05	spoel	Removed OXT to O2 renaming	blob \| commitdiff \| raw \| diff to current
2006-05-11	hess	made the pdb box writing a seperate function	blob \| commitdiff \| raw \| diff to current
2006-05-04	spoel	Merged in bugfix from 3.3	blob \| commitdiff \| raw \| diff to current
2006-02-27	spoel	Merged in warning from 3.3	blob \| commitdiff \| raw \| diff to current
2005-09-03	spoel	Merged in changes from the release-3-3-patches tree.	blob \| commitdiff \| raw \| diff to current
2005-06-02	spoel	Fixed output for MEAD	blob \| commitdiff \| raw \| diff to current
2005-03-07	hess	For triclinic boxes box angles of 90.00 are now read...	blob \| commitdiff \| raw \| diff to current
2004-12-26	lindahl	Updated Gromacs #defines to use the GMX_ prefix.	blob \| commitdiff \| raw \| diff to current
2004-09-06	spoel	Replaced the fatal_error routine by a more flexible...	blob \| commitdiff \| raw \| diff to current
2004-06-11	hess	changed HEADER to TITLE	blob \| commitdiff \| raw \| diff to current
2004-01-23	lindahl	Added conditional inclusion of config.h to source files.	blob \| commitdiff \| raw \| diff to current
2003-11-17	spoel	Upped the version to 3.2.0	blob \| commitdiff \| raw \| diff to current
2002-11-06	lindahl	Partial commit of the project to remove all static...	blob \| commitdiff \| raw \| diff to current
2002-06-25	lindahl	Fixed a bug in the pdb-writing code.	blob \| commitdiff \| raw \| diff to current
2002-06-02	spoel	Fixed writing of anisou records	blob \| commitdiff \| raw \| diff to current
2002-04-24	hess	pdb frames are now always surrounded by MODEL with...	blob \| commitdiff \| raw \| diff to current
2002-02-28	spoel	Updated copyrgt wrapper	blob \| commitdiff \| raw \| diff to current
2002-01-31	hess	the bfac field was printed %7.3f iso %6.2f	blob \| commitdiff \| raw \| diff to current
2001-05-14	lindahl	Tagged files with gromacs 3.0 header	blob \| commitdiff \| raw \| diff to current
2001-04-24	anton	fixed typo in text	blob \| commitdiff \| raw \| diff to current
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