Commits · df390f169f9cadfa396b7dc49eff7fd58b5c5dbc · schwede / openstructure · GitLab

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Aug 07, 2018
- Doc: fixed alignment i/o examples. · df390f16
  Gerardo Tauriello authored 6 years ago
  
  df390f16
Jun 29, 2018
- Make reading of ANISOU record more permissive if hetatms are disabled · 846761e9
  Studer Gabriel authored 6 years ago
  846761e9
May 25, 2018
- Removed compile warnings. · 59e8b1f0
  Gerardo Tauriello authored 6 years ago
  
  59e8b1f0
Apr 26, 2018
- Fix sphinx warnings/errors · 73fd434a
  Gerardo Tauriello authored 7 years ago
  
  73fd434a
- docs: SCHWED-3121 Update ReadStereoChemicalPropsFile documentation · 18dcd749
  Rafal Gumienny authored 7 years ago
  
  18dcd749
Apr 12, 2018
- Fixed loading from PDB file, secondary structure stays unchanged · 79a12145
  Bienchen authored 7 years ago
  
  79a12145
- Fixed loading from mmCIF file, secondary structure stays unchanged · 21862098
  Bienchen authored 7 years ago
  
  21862098
- Doc fix · a4282c28
  Gerardo Tauriello authored 7 years ago
  
  a4282c28
Apr 04, 2018
- refactor: SCHWED-3120 Extract lDDTScorer object and adapt other modules · 08fa0685
  Rafal Gumienny authored 7 years ago
  
  08fa0685
Mar 21, 2018
- Fixed documentation. · be3a76f5
  Gerardo Tauriello authored 7 years ago
  
  be3a76f5
Mar 20, 2018
- fix: SCHWED-3128 Add ost.mol.alg to io dependencies · 7a99285c
  Rafal Gumienny authored 7 years ago
  
  7a99285c
Mar 15, 2018
- docs: SCHWED-3127 Documentation for lDDT facilities · fc2cc9f6
  Rafal Gumienny authored 7 years ago
  
  fc2cc9f6
Mar 02, 2018
- feat: SCHWED-3127 Exposed functions neccessary to run lDDT using python · 3abeaf85
  Rafal Gumienny authored 7 years ago
  
  3abeaf85
Mar 01, 2018
- fix: SCHWED-3127 Typo in the StereoChemicalParamsReader props path · 3c9fc8d4
  Rafal Gumienny authored 7 years ago
  
  3c9fc8d4
- feat: SCHWED-3127 Add check structure functionality · 1b0f02fb
  Rafal Gumienny authored 7 years ago
  
  1b0f02fb
Feb 27, 2018
- Fixed star parser, prevent him from going into an infinite loop if an early line starts with a "g" · 2ad2d05b
  Bienchen authored 7 years ago
  
  2ad2d05b
- Fixed star parser, prevent him from going into an infinite loop if an early line starts with a "d" · 658a64dc
  Bienchen authored 7 years ago
  
  658a64dc
Feb 09, 2018
- Add new ligand type to chemdict_parser. · 3ab0c16a
  Gerardo Tauriello authored 7 years ago
  
  3ab0c16a
Nov 02, 2017
- Fix unit test compilation issues on Boost versions >= 1.59 · 46e756c3
  Gerardo Tauriello authored 7 years ago
  
  46e756c3
Sep 21, 2017
- Doc update - properly link mmCIF parts. · cdc42d20
  Gerardo Tauriello authored 7 years ago
  
  cdc42d20
Aug 22, 2017
- SCHWED-2640: Fix mmCIF book title parsing · cea40522
  Gerardo Tauriello authored 7 years ago
  
  cea40522
Jul 28, 2017
- Added new ChainTypes to mmCIF parser · 1a7c3f9f
  Gerardo Tauriello authored 7 years ago
  
  1a7c3f9f
- SCHWED-2589: fixed mandatory/optional items given RCSB input · 8f30e404
  Gerardo Tauriello authored 7 years ago
  
  8f30e404
Jul 27, 2017
- SCHWED-2589: improved error handling for messed up mmCIF files. · 5dcc9da4
  Gerardo Tauriello authored 7 years ago
  
  5dcc9da4
- SCHWED-2592: Extract rFree and rWork from mmCIF files · 00780ed4
  Gerardo Tauriello authored 7 years ago
  
  00780ed4
- SCHWED-2589: parse new style revisions from mmCIF. · aea0cd00
  Gerardo Tauriello authored 7 years ago
  
  aea0cd00
- SCHWED-2589: clean exception handling for MMCifInfoRevisions. · 10373c01
  Gerardo Tauriello authored 7 years ago
  
  10373c01
- SCHWED-2589: cleanup of mmCIF IO doc. · 64324e9a
  Gerardo Tauriello authored 7 years ago
  
  64324e9a
Jul 25, 2017
- Keep chain-2-entity.id mapping in MMCifInfo. · 2eca1d9a
  Gerardo Tauriello authored 7 years ago
  
  2eca1d9a
- Docu update for mmCIF reader · 6572b439
  Gerardo Tauriello authored 7 years ago
  
  6572b439
Jul 20, 2017
- Replace obsolete BOOST_MESSAGE with BOOST_TEST_MESSAGE · 83e3a577
  Gerardo Tauriello authored 7 years ago
  83e3a577
Jun 14, 2017
- Updated remote links for structure loading. · 8514801d
  Gerardo Tauriello authored 7 years ago
  
  8514801d
Jun 13, 2017
- Bugfix regarding StringRef · 8b33268a
  Studer Gabriel authored 7 years ago
  8b33268a
- Fixed issues with StringRef based parsing (affects gcc >= 5). · 3a1378c6
  Gerardo Tauriello authored 7 years ago
  
  3a1378c6
Mar 09, 2017
- Testing · 83bea4d9
  Bienchen authored 8 years ago
  
  83bea4d9
Mar 06, 2017
- Making unit tests fail on purpose · 22089889
  Bienchen authored 8 years ago
  
  22089889
Jan 17, 2017
- make sphinx warnings disappear · a3156b0d
  Studer Gabriel authored 8 years ago
  
  a3156b0d
Nov 16, 2016
- Refactoring of ProfileHandle class to make it safer to use. · ec529c4e
  Gerardo Tauriello authored 8 years ago
  ec529c4e
Jun 23, 2016
- SCHWED-1087: removed inexistent restrict_chains parameter for LoadMMCIF. · ae808965
  Gerardo Tauriello authored 8 years ago
  ae808965
- Code cleanup: added tests for amino acids and updated doc. for structure comparisons. · d97d8f50
  Gerardo Tauriello authored 8 years ago
  
  d97d8f50