Commits · 2d33935e977d0e5981ab0aa7cf94f36decf6bcfe · schwede / openstructure · GitLab

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Jul 19, 2011
- added default query flag to mol.entity · 2d33935e
  Ansgar Philippsen authored 13 years ago
  2d33935e
- Corrected an error in mol.alg.AnalyzeRMSD · 95d762b9
  Niklaus Johner authored 13 years ago
  
  95d762b9
Jul 07, 2011
- Overload for the SuperposeFrame function, so that a trajectory can be... · 70689aa3
  Niklaus Johner authored 13 years ago
  70689aa3
- Added functions to calculate the minimal distance between two sets of atoms · 45c7f984
  Niklaus Johner authored 13 years ago
  45c7f984
Jun 27, 2011
- Just tuned the documentation (editors.rst) a bit. · d2fcfab2
  Bienchen authored 13 years ago
  
  d2fcfab2
Jun 23, 2011
- fixed numpy unit test when USE_NUMPY is false · 8cb0c945
  Ansgar Philippsen authored 13 years ago
  
  8cb0c945
Jun 22, 2011
- Made the documentation of superpose a bit more understandable. · 81ff0ff9
  Bienchen authored 13 years ago
  
  81ff0ff9
Jun 20, 2011
- fixed mol/numpy unit test to use project convention · dbcc12fe
  Ansgar Philippsen authored 13 years ago
  
  dbcc12fe
- fixed missing GetCentralAtom export for residue · 8dd58eea
  Ansgar Philippsen authored 13 years ago
  
  8dd58eea
Jun 16, 2011
- properly escape special characters in glob pattern · 6e54618d
  Marco Biasini authored 13 years ago
  
  6e54618d
Jun 12, 2011
- expanded xcs editor setpos numpy interface · ee67894b
  Ansgar Philippsen authored 13 years ago
  
  ee67894b
Jun 07, 2011
- add missing continue · e5973be9
  Marco Biasini authored 13 years ago
  
  e5973be9
- Fixed a typo which prevented compiling on non-Mac systems. · 2695d424
  Bienchen authored 13 years ago
  
  2695d424
- document CoordGroupHandle and CoordFrame classes · f10e7df7
  Marco Biasini authored 13 years ago
  
  f10e7df7
- correct a few typos · aa98adf1
  Marco Biasini authored 13 years ago
  
  aa98adf1
Jun 06, 2011
- Two files forgotten in previous commit · f8a207f6
  Niklaus Johner authored 13 years ago
  
  f8a207f6
- Trajectory analysis tools added · 956808eb
  nij2003 authored 14 years ago
  
  956808eb
- cleaning up a bit · e2d25647
  nij2003 authored 14 years ago
  
  e2d25647
- basic trajectory_analysis tools · 33c22554
  nij2003 authored 14 years ago
  
  33c22554
May 31, 2011
- also run mol.alg, mol, seq.alg unit tests · 08db1371
  Marco Biasini authored 13 years ago
  
  08db1371
May 30, 2011
- Changed documentation of MatchResidueByGlobalAln and MatchResidueByLocalAln... · b4a821a4
  Bienchen authored 13 years ago
  b4a821a4
- fix compilation on windows · 811a9f57
  Marco Biasini authored 13 years ago
  811a9f57
May 27, 2011
- Added MatchResidueByGlobalAln, implemented as shared function with MatchResidueByLocalAln · 27f67ebc
  Bienchen authored 13 years ago
  
  27f67ebc
- Added ost.mol.alg.MatchResidueByLocalAln to be used in ost.mol.alg.Superpose,... · 51da9c1a
  Bienchen authored 13 years ago
  51da9c1a
- Documentation for the new prameter of the LocalDistanceTest function · 9a1eae3a
  Valerio Mariani authored 13 years ago
  
  9a1eae3a
- Local per reside LDT · f50455be
  Valerio Mariani authored 13 years ago
  f50455be
May 23, 2011
- New matching function for convenience superposition: MatchResidueByIdx · 561a4adc
  Bienchen authored 13 years ago
  
  561a4adc
- Introduction of a convenience function for superposing molecules (wrapper around SuperposeSVD) · dc0079a7
  Bienchen authored 13 years ago
  
  dc0079a7
- first test cases for convenient superposition method · 523366a4
  Tobias Schmidt authored 13 years ago and Bienchen committed 13 years ago
  
  523366a4
May 17, 2011
- changed cmake scripts to allow building as subproject / moved common... · f17d0eaf
  Andreas Schenk authored 14 years ago
  f17d0eaf
- Fixed BZDNG-246; modified AtomImpl::DeleteAllTorsions() and test_view/... · 90b45594
  Bienchen authored 13 years ago
  90b45594
May 12, 2011
- Fixed small bug in RenameChain: now it's allowed to rename a chain with its... · c4e1021f
  Bienchen authored 14 years ago
  c4e1021f
- Fixed bug BZDNG-212 (RenameResidue(ResidueHandle, new_name) is missing in... · 1c0a6a74
  Bienchen authored 14 years ago
  1c0a6a74
May 05, 2011
- fix for BZDNG-253: atom index is now properly maintained upon entity copy · ce680562
  Ansgar Philippsen authored 14 years ago
  
  ce680562
- silence warning about unhandled switch cases · 020fcea1
  Marco Biasini authored 14 years ago
  
  020fcea1
May 04, 2011
- fixed missing aindex selection property · b79cf5e0
  Ansgar Philippsen authored 14 years ago
  
  b79cf5e0
Apr 22, 2011
- extended mol transform interface to accept pre-made mat4 · bda3e70c
  Ansgar Philippsen authored 14 years ago
  
  bda3e70c
Apr 21, 2011
- don't mark XCS dirty when applying a transform to an entity · a5985ec9
  Marco Biasini authored 14 years ago
  a5985ec9
- don't mark XCS dirty when applying a transform to an entity · ea2de263
  Marco Biasini authored 14 years ago
  ea2de263
Apr 15, 2011
- move mol.alg documentation to doc subdirectory · c61cb42c
  Marco Biasini authored 14 years ago
  
  c61cb42c