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Fixing copyright issues and code contributors
[alexxy/gromacs.git]
/
src
/
gmxlib
/
pdbio.c
2013-01-18
Mark Abraham
Fixing copyright issues and code contributors
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2013-01-17
Mark Abraham
Merge branch 'release-4-5-patches' into release-4-6
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2013-01-11
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-11-29
Mark Abraham
Update copyright statements and change license to LGPL
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2012-11-26
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-11-20
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-11-03
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-10-01
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-09-27
Teemu Murtola
Merge "Fix insolidangle selections near poles." into...
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2012-09-25
Christoph Junghans
Merge "Fix REMD use of gmx_large_int_t for #steps varia...
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2012-09-24
Teemu Murtola
Add pdbname selection keyword.
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2012-09-15
Kasson
Merge "Fix some memory leaks." into release-4-5-patches
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2012-09-13
Teemu Murtola
Fix some memory leaks.
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2012-09-03
Szilard Pall
Merge branch 'release-4-5-patches' into release-4-6
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2012-07-13
Roland Schulz
Merge release-4.5-patches into HEAD
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2012-06-01
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-05-07
Teemu Murtola
Merge branch 'gerrit/release-4-5-patches' into release-4-6
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2012-04-29
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-04-29
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-04-26
Berk Hess
Merge release-4-5-patches into release-4-6
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2012-04-03
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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2012-03-28
Szilard Pall
Merge branch 'release-4-5-patches' into release-4-6
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2012-03-16
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-03-15
Roland Schulz
Fix most errors found by cppcheck
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2011-05-05
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2011-04-04
David van der Spoel
Merge branch 'release-4-5-patches' into orderparm
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2011-03-11
Sander Pronk
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2011-03-11
Berk Hess
fixed memory error in element setting in pdbio
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2011-03-05
David van der Spoel
Merge branch 'release-4-5-patches' of git@git.gromacs...
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2011-02-24
Berk Hess
pdb model numbers now start at 1
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2011-01-30
David van der Spoel
Merge branch 'release-4-5-patches' into orderparm
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2010-09-14
David van der Spoel
Fixed bug 553 by checking whether an atom name is longe...
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2010-08-25
Rossen Apostolov
Redefine the default boolean type to gmx_bool.
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2010-08-23
Rossen Apostolov
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-22
Erik Lindahl
Replaced all occurences of str(n)casecmp with gmx_str...
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2010-08-17
Michael Shirts
Merge branch 'release-4-5-patches' of git@git.gromacs...
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2010-08-12
Rossen Apostolov
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-12
Erik Lindahl
Removed extra TER records after chains we think are...
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2010-08-02
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-02
Erik Lindahl
Modified TER record writing behaviour (only add after...
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2010-07-27
Erik Lindahl
Modified PDB io code to merely store the chain _identif...
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2010-07-10
Michael Shirts
Fixed minor formatting conflict.
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2010-07-02
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-07-01
Sander Pronk
More thread safety fixes in gmxlib.
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2010-06-09
Gerrit Groenhof
Merge branch 'master' into qmmm
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2010-05-19
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-05-19
David van der Spoel
Added check in read_pdb for existence of t_resinfo...
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2010-04-27
Berk Hess
resolved merge conflicts
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2010-04-06
David van der Spoel
Revert "Added argument rtpname to t_atoms_set_resinfo...
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2010-04-06
David van der Spoel
Added argument rtpname to t_atoms_set_resinfo to avoid...
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2010-03-02
Roland Schulz
Merge branch 'release-4-0-patches'
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2010-02-06
David van der Spoel
Replaced two strcpy by strncpy in pdbio.c to prevent...
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2010-02-05
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-02-03
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-02-01
Berk Hess
TER entries in pdb file now get translated into chain...
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2009-09-23
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-09-14
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-09-14
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2009-09-12
Roland Schulz
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-09-09
Michael Shirts
Merge branch 'master' of git://git.gromacs.org/gromacs
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2009-09-09
Sander Pronk
Made former atoi (atoi is not thread-safe) strtols...
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2009-08-30
kasson
Tool merge
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2009-08-27
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-08-21
Sander Pronk
Merge branch 'thread_mpi'. Threads should work for...
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2009-06-27
Sander Pronk
atoi/atof are not thread-safe: replaced all instances...
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2009-06-04
Erik Lindahl
Removed Id tags from master branch since they will...
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2009-06-03
teemu
Fixed more compiler errors and warnings for C/C++ compa...
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2009-06-03
hess
updated for C++ compilation
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2009-06-03
teemu
Improved compilation (no errors, less warnings) of...
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2009-04-10
spoel
Added support for writing CONECT records to pdb files...
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2009-04-10
spoel
Added check for chain id that is zero
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2009-04-06
spoel
Updated
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2009-03-17
spoel
Fixed writing of elements in column 77/78
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2009-03-16
spoel
Added extra field elem in atom record. This does not...
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2009-03-06
hess
added t_resinfo struct to t_atoms which contains the...
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2009-02-28
spoel
Updated
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2008-10-16
hess
fixed bug in ePBC assignment which also caused a compil...
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2008-10-16
hess
fixed bug in ePBC assignment which also caused a compil...
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2008-10-10
lindahl
Merged in changes from final 4.0 release into head...
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2008-10-08
lindahl
Fixed pdb format for 4-char atom names, so that the...
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2008-09-19
lindahl
Implemented automatic renaming and optional appending...
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2008-06-27
hess
made atomprop only read a particular database when...
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2008-06-27
hess
limited the long atom name warnings to 20
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2008-04-18
spoel
Updated
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2008-03-28
spoel
Removed library file reading from pdb reading
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2008-03-11
hess
implemented screw pbc
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2008-02-15
spoel
Added extra field in the t_atom struct containing atom...
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2007-07-05
spoel
Removed OXT to O2 renaming
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2006-05-11
hess
made the pdb box writing a seperate function
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2006-05-04
spoel
Merged in bugfix from 3.3
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2006-02-27
spoel
Merged in warning from 3.3
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2005-09-03
spoel
Merged in changes from the release-3-3-patches tree.
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2005-06-02
spoel
Fixed output for MEAD
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2005-03-07
hess
For triclinic boxes box angles of 90.00 are now read...
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2004-12-26
lindahl
Updated Gromacs #defines to use the GMX_ prefix.
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2004-09-06
spoel
Replaced the fatal_error routine by a more flexible...
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2004-06-11
hess
changed HEADER to TITLE
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2004-01-23
lindahl
Added conditional inclusion of config.h to source files.
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2003-11-17
spoel
Upped the version to 3.2.0
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2002-11-06
lindahl
Partial commit of the project to remove all static...
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