Commits · e56badeb89a98260c074149d7213a4d8d3ac6b52 · schwede / openstructure · GitLab

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Jun 11, 2012
- remove unused functions · e56badeb
  Marco Biasini authored 12 years ago
  
  e56badeb
Jun 10, 2012
- prefer std::abs over abs · 5d763caf
  Marco Biasini authored 12 years ago
  5d763caf
Jun 07, 2012
- removed one more pytho · a62f425c
  Andreas Schenk authored 12 years ago
  a62f425c
- let minimal OST compile with barebone CentOS 5.5 · 9563cd8e
  Marco Biasini authored 12 years ago
  9563cd8e
Jun 04, 2012
- New helper functions and updated stereo chemical parameter file · ba19c9a0
  Valerio Mariani authored 12 years ago
  
  ba19c9a0
Jun 01, 2012
- add missing depenceny when compiling without info · 66cfc760
  Marco Biasini authored 12 years ago
  
  66cfc760
May 31, 2012
- Added helper function to fill ClashingDistances · 7e87fd60
  Valerio Mariani authored 12 years ago
  
  7e87fd60
May 30, 2012
- fixes to dcd io and coord frame · 1350fae6
  Ansgar Philippsen authored 12 years ago and Bienchen committed 12 years ago
  1350fae6
May 29, 2012
- Further improvements to program output · fc4eba18
  Valerio Mariani authored 12 years ago
  
  fc4eba18
May 26, 2012
- Wrapper exposing old version of the LocalDistanceTest interface · 72276baf
  Valerio Mariani authored 12 years ago
  
  72276baf
May 25, 2012
- Added stere-chemical and clashing statistics to the output. Tweaked logging system · 42761b45
  Valerio Mariani authored 12 years ago
  
  42761b45
May 24, 2012
- CreateEntityFromView: docu fine tuning · e59cf0f8
  BIOPZ-Haas Juergen authored 12 years ago
  
  e59cf0f8
- adding docu for CreateEntityFromView · f23392f1
  BIOPZ-Haas Juergen authored 12 years ago
  
  f23392f1
May 21, 2012
- Added a python module for the determination of helix kink angles · bfff1c29
  Niklaus Johner authored 12 years ago
  
  bfff1c29
- Fixed bug in EntityHandle::GetAtomPosList · 38205f47
  Niklaus Johner authored 12 years ago
  38205f47
- Added function to extract an alpha-helix axis from an EntityView · d2738667
  Niklaus Johner authored 12 years ago
  d2738667
- Added a function to fit a cylinder to a selection on the CoordFrame level · 378d6c4f
  Niklaus Johner authored 12 years ago
  
  378d6c4f
- Corrected the export for SuperposeFrames. There was a conflict between · 7fb7086e
  Niklaus Johner authored 12 years ago
  7fb7086e
- Added functions to get th best fit line and best fit plane to an EntityView · 4bf2e0a3
  Niklaus Johner authored 12 years ago
  4bf2e0a3
- Added functions to get the best fit plane and line to a selection · f9499b92
  Niklaus Johner authored 12 years ago
  f9499b92
- Added several functions from the CoordFrame level to structure_analysis.py · 184b98cf
  Niklaus Johner authored 12 years ago
  184b98cf
- Added a python module for structure analysis · ae4a7e86
  Niklaus Johner authored 12 years ago
  ae4a7e86
- Added EntityHandle::GetAtomPosList · 542653d3
  Niklaus Johner authored 12 years ago
  542653d3
- Added a function to calculate the distance-RMSD from a trajectory · 610921c6
  Niklaus Johner authored 12 years ago
  
  610921c6
- Added functions to calculate the distance matrix from a trajectory · 15f0a714
  Niklaus Johner authored 12 years ago
  15f0a714
- Added function to calculate an RMSD matrix from a trajectory · f2bb4a63
  Niklaus Johner authored 13 years ago
  
  f2bb4a63
- Added python module trajectory_analysis.py with a function · 6e657c15
  Niklaus Johner authored 13 years ago
  6e657c15
May 16, 2012
- fixing typo in export of ResidueBase, moving property closer to function · 0aa57ac8
  BIOPZ-Haas Juergen authored 12 years ago
  
  0aa57ac8
May 14, 2012
- fix compilation with ENABLE_IMG=0 · 75e541c7
  Marco Biasini authored 12 years ago
  
  75e541c7
- Ifdef for boost::filesystem::filename · ea6782a0
  Valerio Mariani authored 12 years ago
  
  ea6782a0
May 03, 2012
- fix BZDNG318 · 754d26ff
  Marco Biasini authored 13 years ago
  
  754d26ff
May 01, 2012
- Fixed a couple of bugs in ldt · 21903277
  Valerio Mariani authored 13 years ago
  
  21903277
Apr 17, 2012
- Some conflicts fixed for ldt.cc · 107c9068
  Valerio Mariani authored 13 years ago
  
  107c9068
- Added radius option to ldt executable · c113fbf2
  Valerio Mariani authored 13 years ago
  
  c113fbf2
Apr 11, 2012
- Fixed error from my last commits in modules/mol/alg/pymod/CMakeLists.txt · 5c92f6e5
  Niklaus Johner authored 13 years ago
  
  5c92f6e5
- Added a function to get a CoordFrame from a CoordGroup: · b737cda1
  Niklaus Johner authored 13 years ago
  b737cda1
- Added the necessary functions to add frames with periodic boundary conditions · 661b7cf3
  Niklaus Johner authored 13 years ago
  661b7cf3
- added export for CoordFrame::GetCellSize and CoordFrame::GetCellAngles · 483d0e72
  Niklaus Johner authored 13 years ago
  
  483d0e72
- Added periodic_cell_sizes_ and periodic_cell_angles_ as members of the · e618f79d
  Niklaus Johner authored 13 years ago
  e618f79d
- Added a function to calculate a density entity overlap by · b327739c
  Niklaus Johner authored 13 years ago
  b327739c