Commits · 688febba475a77ba9faabbdbe94ab466706f09c4 · schwede / openstructure · GitLab

Snippets Groups Projects

Nov 11, 2010
- remove tests from gitignore · 688febba
  Marco Biasini authored 14 years ago
  
  688febba
- propagate return code of python · 47edc6b6
  Marco Biasini authored 14 years ago
  
  47edc6b6
Nov 05, 2010
- fix pdb output for alt atom locations · 12f78739
  Marco Biasini authored 14 years ago
  
  12f78739
Nov 03, 2010
- Revert "alignmenthandle python export" · 619babe6
  Tobias Schmidt authored 14 years ago
  619babe6
- Revert "added nopgap flag to clustalw binding" · 32d04dbe
  Tobias Schmidt authored 14 years ago
  32d04dbe
- Revert "added chemlib to gitignore" · f33f424f
  Tobias Schmidt authored 14 years ago
  f33f424f
- Revert "update msms unit test" · f29c37b4
  Tobias Schmidt authored 14 years ago
  f29c37b4
- Revert "added version check for msms unit test, fixes BZDNG-176" · 372c75ef
  Tobias Schmidt authored 14 years ago
  372c75ef
- Revert "updated clustalw unittests for nopgap option" · 0b6c56ec
  Tobias Schmidt authored 14 years ago
  0b6c56ec
- updated clustalw unittests for nopgap option · 88013d57
  Tobias Schmidt authored 14 years ago
  
  88013d57
- added version check for msms unit test, fixes BZDNG-176 · bb59a0df
  Tobias Schmidt authored 14 years ago
  
  bb59a0df
- update msms unit test · a628802a
  Tobias Schmidt authored 14 years ago
  
  a628802a
- added chemlib to gitignore · bd6ff2d2
  Tobias Schmidt authored 14 years ago
  
  bd6ff2d2
- added nopgap flag to clustalw binding · d1818e3b
  Tobias Schmidt authored 14 years ago
  
  d1818e3b
- alignmenthandle python export · d711f981
  Tobias Schmidt authored 14 years ago
  
  d711f981
Oct 29, 2010
- skip leading numeric characters when guessing element · 1694fab0
  Marco Biasini authored 14 years ago
  
  1694fab0
Oct 28, 2010
- fix broken clustalw binding · 7e5d60c8
  Marco Biasini authored 14 years ago
  
  7e5d60c8
Oct 19, 2010
- added missing dllexport in vec3.hh · 26a7a3ac
  Andreas Schenk authored 14 years ago
  
  26a7a3ac
Oct 15, 2010
- also read element column in charmm pdb import mode · e939008d
  Marco Biasini authored 14 years ago
  
  e939008d
- refine documentation · 27553450
  Marco Biasini authored 14 years ago
  
  27553450
- added GetSlab/SetSlab to DataViewer · 3ef2d2e9
  Marco Biasini authored 14 years ago
  
  3ef2d2e9
- added trajectory widget · c0fc0ea6
  Marco Biasini authored 14 years ago
  
  c0fc0ea6
- added CoordGroupHandle.Filter(sel) · 4e41b55e
  Marco Biasini authored 14 years ago
  4e41b55e
- SaveCHARMMTraj saves the PDB files in CHARMM format · 7101ae69
  Marco Biasini authored 14 years ago
  
  7101ae69
- Maybe improve guessing of atom element · 06677583
  Marco Biasini authored 14 years ago
  
  06677583
- turn Vec3List into a class and give it some convenience methods · a0f48c2c
  Marco Biasini authored 14 years ago
  
  a0f48c2c
Oct 14, 2010
- added IsValid to SurfaceHandle · 50549fe6
  Ansgar Philippsen authored 14 years ago
  
  50549fe6
Oct 13, 2010
- Ost script update/exported GetVerbosityLevel · 00aeb34d
  Valerio Mariani authored 14 years ago
  00aeb34d
Oct 12, 2010
- added function to efficiently superpose coord group frames · 7ef550a7
  Marco Biasini authored 14 years ago
  
  7ef550a7
- remove CTest support. It is unused and is causing make clean failures · 18ff8812
  Marco Biasini authored 14 years ago
  
  18ff8812
- added on-demand loader for CHARMM trajectory data · 44e1ff4c
  Marco Biasini authored 14 years ago
  44e1ff4c
Oct 06, 2010
- open compound lib in read-only mode, unless explicitly stated · 661d2b43
  Marco Biasini authored 14 years ago
  661d2b43
- added option to skip FindWithin step in LocalDistTest by specifying max_dist as -1 · 1648d0c9
  juergen authored 14 years ago
  
  1648d0c9
Oct 05, 2010
- fix include guard · 415ccd23
  Marco Biasini authored 14 years ago
  
  415ccd23
- changed second arg of MergePairwiseAlignments to ConstSequenceHandle · cf6c07d3
  Marco Biasini authored 14 years ago
  
  cf6c07d3
- added AlignmentHandle::IsValid · ec661c22
  Marco Biasini authored 14 years ago
  
  ec661c22
Oct 04, 2010
- rule-based-builder: override the atom element, if it is bogus · e6b1cf9f
  Marco Biasini authored 14 years ago
  
  e6b1cf9f
- in fault_tolerant mode, continue parsing when atom number is wrong · b34a477e
  Marco Biasini authored 14 years ago
  
  View commits for tag 1.0.1 1.0.1
  
  b34a477e
- add ILE.CD as an alternative name for ILE.CD1 · e89c1f9b
  Marco Biasini authored 14 years ago
  
  e89c1f9b
Oct 01, 2010
- fix previous commit · 91d7aef5
  Marco Biasini authored 14 years ago
  
  91d7aef5