Commits · 4d01e712c40bd97d1af6e63ff6970d2898e3619f · schwede / openstructure · GitLab

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Oct 25, 2011
- added pdbx_type as ChemType to compound and residue · 4d01e712
  Tobias Schmidt authored 13 years ago
  4d01e712
Oct 14, 2011
- fixed two bugs in msms bindings and added function to calculate SESA volume · c2cf4117
  Andreas Schenk authored 13 years ago
  c2cf4117
- reordered header inclusions for mmcif io export to make it compile on OSX g++ 4.0 · 4c6c10c2
  Andreas Schenk authored 13 years ago
  
  4c6c10c2
- mmCIF reader is no reading info of obsolete entries · 6c16f195
  Bienchen authored 13 years ago
  
  6c16f195
Oct 13, 2011
- document new behaviour of logging system · 7cc28c8b
  Marco Biasini authored 13 years ago
  
  7cc28c8b
- python logging functions accept variable number of args · b21aa572
  Marco Biasini authored 13 years ago
  
  b21aa572
- added GetCurrentLogSink() · 8e05d5a1
  Marco Biasini authored 13 years ago
  
  8e05d5a1
Oct 10, 2011
- Fixed problem in PDBReader error message. · 821ca899
  Bienchen authored 13 years ago
  
  821ca899
Oct 06, 2011
- gcc 4.1 now also compiles gfx and gui · d1f5ed8e
  Marco Biasini authored 13 years ago
  
  d1f5ed8e
- fix compilation with gcc 4.1 · 679cf6b5
  Marco Biasini authored 13 years ago
  679cf6b5
- fix MatchResiduesByNum · fec24bae
  Marco Biasini authored 13 years ago
  fec24bae
Sep 30, 2011
- Added split according to whitespace to StringRef · f7438943
  Valerio Mariani authored 13 years ago
  
  f7438943
Sep 27, 2011
- add GetUnique function to table class · 656cd8b7
  Tobias Schmidt authored 13 years ago
  
  656cd8b7
- add ROC curves to table class · 099d4dce
  Tobias Schmidt authored 13 years ago
  
  099d4dce
- Merge branch 'develop' into mmcifparser · c59ec9e8
  Bienchen authored 13 years ago
  
  c59ec9e8
- Renamed MMCifParser to MMCifReader · 6ac2f443
  Bienchen authored 13 years ago
  
  6ac2f443
- mmCIF parser is now reading struct_sheet_range information for beta sheets. · 8d27539e
  Bienchen authored 13 years ago
  
  8d27539e
Sep 26, 2011
- Fixed unit test for struct_conf parsing · 8549c314
  Bienchen authored 13 years ago
  
  8549c314
- The mmCIF parser is no reading the struct_conf category. Theoretically this... · 8a6c8e50
  Bienchen authored 13 years ago
  8a6c8e50
Sep 23, 2011
- Added checking of structure classification for struct_conf in MMCIFParser · e3f93702
  Bienchen authored 13 years ago
  
  e3f93702
Sep 22, 2011
- Added first bit of struct_conf parsing to the mmCif parser, NO UNIT TESTS, yet · 57b3db46
  Bienchen authored 13 years ago
  
  57b3db46
- fixed IPL image unit test · 76cdc7e7
  Marco Biasini authored 13 years ago
  
  76cdc7e7
- mol.alg should not depend on headers from gfx · 3f50c36c
  Marco Biasini authored 13 years ago
  
  3f50c36c
Sep 21, 2011
- added unit test for normalizer · bd8ab7e4
  Andreas Schenk authored 13 years ago
  
  bd8ab7e4
- Testing reading only CA in the mmcif parser · a1c64afa
  Bienchen authored 13 years ago
  
  a1c64afa
- Added unit test for multi model case in mmcif files · a52df408
  Bienchen authored 13 years ago
  
  a52df408
- Revert "deployment, use rpath even on MacOS X 10.5" · 8e6f0312
  Marco Biasini authored 13 years ago
  8e6f0312
- explicitly specify file type · 0c933c97
  Marco Biasini authored 13 years ago
  
  0c933c97
- properly mark ligands · 4111d22e
  Marco Biasini authored 13 years ago
  4111d22e
- added remote loader for mmCIF · d80effd5
  Marco Biasini authored 13 years ago
  
  d80effd5
- deployment, use rpath even on MacOS X 10.5 · 22589a5f
  Marco Biasini authored 13 years ago
  
  22589a5f
- added entity io handler for mmcif format · 2086293d
  Marco Biasini authored 13 years ago
  
  2086293d
- Merge branch 'develop' into mmcifparser · f49a7f51
  Marco Biasini authored 13 years ago
  
  f49a7f51
- update unit test · 801fe308
  Marco Biasini authored 13 years ago
  
  801fe308
Sep 20, 2011
- added missing scene property py exports · 2dda488f
  Ansgar Philippsen authored 13 years ago
  
  2dda488f
- fixed bug in pdb reader for quack mode · d2a9a493
  Ansgar Philippsen authored 13 years ago
  d2a9a493
Sep 16, 2011
- fixes and cleanups for mmCIF parser · 3cbc89aa
  Marco Biasini authored 13 years ago
  
  3cbc89aa
- Added a function to calculate an average structure from a trajectory · 122c97ea
  Niklaus Johner authored 13 years ago
  
  122c97ea
- fix for geom::quat::GetAngle and for geom::Rotation3::GetRotationAngle() · 6fb3c0dc
  Niklaus Johner authored 13 years ago
  6fb3c0dc
Sep 09, 2011
- Added handling of 'X', '?' to AlignToSeqres · d8c4242e
  Bienchen authored 13 years ago
  
  d8c4242e