Commits · 542653d3497dbeae6fb2353b85025403ac1295ee · schwede / openstructure · GitLab

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May 21, 2012
- 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
- changed mol.alg.CalculateAgreementWithDensityMap to · dcb5cc68
  Niklaus Johner authored 13 years ago
  dcb5cc68
- Added a function to wrap an entity in a periodic cell · 38b5a33e
  Niklaus Johner authored 13 years ago
  
  38b5a33e
- Added a function to compute how well an EntityView superposes with · 3e02346f
  Niklaus Johner authored 13 years ago
  3e02346f
Mar 30, 2012
- Fixes to LDT bugs, Casp-cleaning code (commented) · 75f3a5d0
  Valerio Mariani authored 13 years ago
  
  75f3a5d0
Mar 23, 2012
- Workaround for circular dependency ost.mol.alg <-> ost.conop · 298a26ab
  Valerio Mariani authored 13 years ago
  
  298a26ab
- Python exports for list-based ldt · 0b9c35e0
  Valerio Mariani authored 13 years ago
  
  0b9c35e0
- Added coverage resport · 2cfc42c1
  Valerio Mariani authored 13 years ago
  
  2cfc42c1
Mar 21, 2012
- Fixed bug (missing symbol) · 6ea69ef7
  Valerio Mariani authored 13 years ago
  
  6ea69ef7
- Updated LDT to use now distance list implementation · 6bf3a610
  Valerio Mariani authored 13 years ago
  
  6bf3a610
Mar 16, 2012
- Ignore all chains except the first in both the reference and the model · df0a5fa4
  Valerio Mariani authored 13 years ago
  df0a5fa4
- Further fixes to logging output text · 45fed551
  Valerio Mariani authored 13 years ago
  
  45fed551
Mar 15, 2012
- Fixes to the logging output · 585a059e
  Valerio Mariani authored 13 years ago
  
  585a059e
Feb 24, 2012
- Refactored and wrapped ldt-related fuctions · 0d7ea45a
  Valerio Mariani authored 13 years ago
  
  0d7ea45a
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 20, 2012
- use new RunTest function in all python unittests · 176c2463
  Tobias Schmidt authored 13 years ago
  
  176c2463
Jan 17, 2012
- Changes requested by Juergen, mainly output messages · d6e2f103
  Valerio Mariani authored 13 years ago
  
  d6e2f103
Jan 11, 2012
- Fixed a problem with asking for a parameter file even without structural... · 68ad09d3
  Valerio Mariani authored 13 years ago
  68ad09d3
Jan 09, 2012
- Ignore OXT atom type (temporary protocol) · f837b0bf
  Valerio Mariani authored 13 years ago
  
  f837b0bf