Commits · 88fd1fd18e67c4784b4baf3ea5aa567c041763da · schwede / openstructure · GitLab

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Mar 18, 2013
- Fixing PDBize · 88fd1fd1
  Bienchen authored 12 years ago
  
  88fd1fd1
Mar 05, 2013
- implement remote loader logic in Python · 2fe743cc
  Marco Biasini authored 12 years ago
  2fe743cc
Dec 04, 2012
- Changed value of bond_feasibility check for SLOPPY and CHARMM profiles · 30dd54c9
  Valerio Mariani authored 12 years ago
  30dd54c9
Nov 15, 2012
- Added a unit test for PDBize and removed debug output. · 5520a072
  Bienchen authored 12 years ago
  
  5520a072
- Fixed problem of large bio units in PDBize · 7d133a23
  Bienchen authored 12 years ago
  
  7d133a23
Nov 06, 2012
- Added a unit test for PDBize and removed debug output. · 3643b0be
  Bienchen authored 12 years ago
  
  3643b0be
- Added a unit test for PDBize and removed debug output. · 377af27f
  Bienchen authored 12 years ago
  
  377af27f
- Fixed problem of large bio units in PDBize · 222c2782
  Bienchen authored 12 years ago
  222c2782
- Fixed problem of large bio units in PDBize · d6fa527c
  Bienchen authored 12 years ago
  
  d6fa527c
Sep 06, 2012
- Fixed loop indentation in the PDBize function for bio units, leading to · 21cf5da3
  Bienchen authored 12 years ago
  21cf5da3
Sep 05, 2012
- Fixed loop indentation in the PDBize function for bio units, leading to · 0a25424d
  Bienchen authored 12 years ago
  0a25424d
Jul 02, 2012
- improve warning when using LoadPDB incorrectly · 667ec7c2
  Tobias Schmidt authored 13 years ago
  
  667ec7c2
Jun 28, 2012
- improve warning when using LoadPDB incorrectly · 45776811
  Tobias Schmidt authored 13 years ago
  
  45776811
Jun 26, 2012
- fixes to dcd import byte swapping · 3d3d4ac8
  Ansgar Philippsen authored 13 years ago
  
  3d3d4ac8
- fixes to dcd import byte swapping · 9e5f6b98
  Ansgar Philippsen authored 13 years ago
  
  9e5f6b98
Apr 12, 2012
- Mentioned use of '*****' instead of 100000 for atom numbers in documentation. · efe32730
  Bienchen authored 13 years ago
  efe32730
Mar 20, 2012
- Moved/ fixed documentation for MMCifInfoBioUnit.PDBize. (BZDNG-314) · 9c6f29ea
  Bienchen authored 13 years ago
  
  9c6f29ea
Mar 09, 2012
- Moved/ fixed documentation for MMCifInfoBioUnit.PDBize. (BZDNG-314) · bcecdc60
  Bienchen authored 13 years ago
  
  bcecdc60
Feb 03, 2012
- Added a PDBize function to MMCIFInfoBioUnit. Automatically goes from an entity to the biounit. · c4791526
  Bienchen authored 13 years ago
  
  c4791526
Dec 21, 2011
- Added filename to exception if LoadPDB does not find an entity. · 7189eb30
  Bienchen authored 13 years ago
  
  7189eb30
Dec 08, 2011
- Added feasibility check unitests for profiles, refactored some stuff · b77f2ec0
  Valerio Mariani authored 13 years ago
  
  b77f2ec0
Dec 07, 2011
- Added support for bond_feasibility flag · c610c42c
  Valerio Mariani authored 13 years ago
  c610c42c
Sep 27, 2011
- Renamed MMCifParser to MMCifReader · 6ac2f443
  Bienchen authored 13 years ago
  
  6ac2f443
Aug 15, 2011
- Parsing citations for the MMCifParser. Comes with a MMCifInfo class, Python... · 73035b03
  Bienchen authored 13 years ago
  73035b03
Aug 05, 2011
- Finished handling of SEQRES by the MMCifParser, with testing and documentation. · 10c30d1c
  Bienchen authored 13 years ago
  
  10c30d1c
Jul 26, 2011
- First version of a MMCIF Parser, early stage (experimental) · 524660e1
  Bienchen authored 13 years ago
  
  524660e1
Jul 25, 2011
- Revert MMCIF Parser to move to own branch · a642faca
  Bienchen authored 13 years ago
  a642faca
Jul 20, 2011
- First version of a MMCIF Parser, early stage (experimental) · aac17c6c
  Bienchen authored 13 years ago
  
  aac17c6c
May 17, 2011
- changed cmake scripts to allow building as subproject / moved common... · f17d0eaf
  Andreas Schenk authored 14 years ago
  f17d0eaf
Mar 27, 2011
- support for reading of SEQRES records · 56a21103
  Marco Biasini authored 14 years ago
  56a21103
Feb 21, 2011
- updated copyright notice · 4dd85f94
  Marco Biasini authored 14 years ago
  
  4dd85f94
- updated copyright notice · a97cead6
  Marco Biasini authored 14 years ago
  
  a97cead6
- updated copyright notice · 970dff3c
  Marco Biasini authored 14 years ago
  
  970dff3c
Jan 03, 2011
- fix problem when writing multiple models. · 6020efa9
  Marco Biasini authored 14 years ago
  6020efa9
Dec 30, 2010
- implement support for IO profiles · cb477231
  Marco Biasini authored 14 years ago
  
  cb477231
Oct 31, 2010
- support for HET records in PDB files · 0e43c7a1
  Marco Biasini authored 14 years ago
  
  0e43c7a1
Oct 15, 2010
- refine documentation · 27553450
  Marco Biasini authored 14 years ago
  
  27553450
- SaveCHARMMTraj saves the PDB files in CHARMM format · 7101ae69
  Marco Biasini authored 14 years ago
  
  7101ae69
Oct 12, 2010
- added on-demand loader for CHARMM trajectory data · 44e1ff4c
  Marco Biasini authored 14 years ago
  44e1ff4c
Sep 21, 2010
- implemented better support for CHARMM-style PDB files · daba938f
  marco authored 14 years ago
  daba938f