Commits · 542653d3497dbeae6fb2353b85025403ac1295ee · schwede / openstructure · GitLab

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May 21, 2012
- Added EntityHandle::GetAtomPosList · 542653d3
  Niklaus Johner authored 12 years ago
  542653d3
May 16, 2012
- fixing typo in export of ResidueBase, moving property closer to function · 0aa57ac8
  BIOPZ-Haas Juergen authored 12 years ago
  
  0aa57ac8
May 03, 2012
- fix BZDNG318 · 754d26ff
  Marco Biasini authored 13 years ago
  
  754d26ff
Apr 11, 2012
- 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
Feb 23, 2012
- fix operator overloading for ResNum (to make it compile with gcc 4.3) · 25982f56
  Tobias Schmidt authored 13 years ago
  
  25982f56
Feb 22, 2012
- Added RenumberAllResidue functionality · ea0e71d9
  Gabriel Studer authored 13 years ago
  
  ea0e71d9
Feb 14, 2012
- Modfications to allow static compilation on Linux · 7cd1ed35
  Valerio Mariani authored 13 years ago
  
  7cd1ed35
Feb 13, 2012
- CoordGroupHandle::GetFramePositions · cc919347
  Niklaus Johner authored 13 years ago
  cc919347
Feb 07, 2012
- Corrected the function to set the residue number of a residue in the editor · 54decf4b
  Niklaus Johner authored 13 years ago
  54decf4b
Jan 05, 2012
- Chganges needed to compile a half-static version of ldt · 07d624a5
  Valerio Mariani authored 13 years ago
  
  07d624a5
Jan 04, 2012
- Added flag for info lib support, which is now optional · bca19254
  Valerio Mariani authored 13 years ago
  
  bca19254
Dec 08, 2011
- speed up queries · bafc321e
  Marco Biasini authored 13 years ago
  bafc321e
- detabify · 60f534cf
  Marco Biasini authored 13 years ago
  
  60f534cf
Dec 02, 2011
- Solved problemes with BOOST_CHECK_CLOSE in tests on bc2. · f9ff5e87
  Bienchen authored 13 years ago
  
  f9ff5e87
Nov 15, 2011
- Function to change residue number · 25706486
  Niklaus Johner authored 13 years ago
  
  25706486
Nov 07, 2011
- Added a first and last argument in the CoordGroup::Filter function · f92d3196
  Niklaus Johner authored 13 years ago
  
  f92d3196
- AnalyzeBestFitPlane function added to trajectory_analysis. · 8e84db97
  Niklaus Johner authored 13 years ago
  8e84db97
- Improved alpha helix axis fitting. · 2463aa0a
  Niklaus Johner authored 13 years ago
  2463aa0a
Oct 28, 2011
- ConnectorImpl::SetDir/SetDirAndLength only set local_rot_ if direction =! 0 · 41210da7
  Tobias Schmidt authored 13 years ago
  
  41210da7
- ICS was not updated properly after connecting atoms · 42b63f2f
  Tobias Schmidt authored 13 years ago
  
  42b63f2f
- added option to rotate all atoms of a torsion or just specified one; removed... · f5defe19
  Tobias Schmidt authored 13 years ago
  f5defe19
- improve python export of chemtypes · 1e7a150d
  Tobias Schmidt authored 13 years ago
  
  1e7a150d
Oct 25, 2011
- increased precision for mass calculation · 68cd4e85
  Andreas Schenk authored 13 years ago
  68cd4e85
- added python documentation for chemtype · 4c65011b
  Tobias Schmidt authored 13 years ago
  
  4c65011b
- added pdbx_type as ChemType to compound and residue · 4d01e712
  Tobias Schmidt authored 13 years ago
  4d01e712
Oct 06, 2011
- fix compilation with gcc 4.1 · 679cf6b5
  Marco Biasini authored 13 years ago
  679cf6b5
Aug 13, 2011
- fixed duplicate variable name in coord_frame.hh · 30629dda
  Andreas Schenk authored 13 years ago
  
  30629dda
Aug 11, 2011
- Added a function to evaluate the helicity of a protein segment · 92daf6c3
  Niklaus Johner authored 13 years ago
  92daf6c3
- Added function to fit a line to a Vec3List and to fit an axis to · 3129fee5
  Niklaus Johner authored 13 years ago
  3129fee5
Aug 10, 2011
- export ChainBase.type as property · 283198f1
  Marco Biasini authored 13 years ago
  
  283198f1
Aug 09, 2011
- added convenience predicates for chain types · c1b689f9
  Marco Biasini authored 13 years ago
  
  c1b689f9
Aug 08, 2011
- Added functions ChainTypeFromString, ChainTypeFromString, StringFromChainType... · 6a70d5bc
  Bienchen authored 13 years ago
  6a70d5bc
Aug 02, 2011
- fixed numpy detection for some tests · aa464505
  Ansgar Philippsen authored 13 years ago
  
  aa464505
- Changed names ChainType and Chaindescription to Type and Description for chains · f5df7375
  Bienchen authored 13 years ago
  
  f5df7375
- Exported chain description get/ set functions to python · 3decb747
  Bienchen authored 13 years ago
  
  3decb747
- Added new member description_ to chain. With get/ set functions and test. · 062268db
  Bienchen authored 13 years ago
  
  062268db
- cleanup function to sanitize protein structures · 9d1c0d6d
  Tiziano Gallo Cassarino authored 13 years ago
  
  9d1c0d6d