Commits · 1fbbb52d9becbe235037a08e52bb1c75c686e9d4 · schwede / openstructure · GitLab

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May 02, 2014
- Use bonds in entity to correctly group the atoms in a residue when wrapping in periodic cell. · 1fbbb52d
  Niklaus Johner authored 11 years ago
  
  1fbbb52d
Nov 04, 2013
- In the PariwiseDistanceMatrix function, added support for passing · ae76d04e
  Niklaus Johner authored 11 years ago
  ae76d04e
- Added function to extract the matrix of pairwise distances · 7ef92de5
  Niklaus Johner authored 11 years ago
  7ef92de5
- Added support for non-orthogonal cells for the WrapEntityInPeriodicCell function. · 9060e0fc
  Niklaus Johner authored 11 years ago
  
  9060e0fc
May 02, 2013
- Added the possibility to wrap an entity in a periodic cell on a per-atom base · 6fd32068
  Niklaus Johner authored 12 years ago
  6fd32068
Jan 16, 2013
- Correct wrapping for the cases when residues are not whole but split by the PBC · 5a553966
  Niklaus Johner authored 12 years ago
  5a553966
May 14, 2012
- fix compilation with ENABLE_IMG=0 · 75e541c7
  Marco Biasini authored 13 years ago
  
  75e541c7
Apr 11, 2012
- 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 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
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
Feb 24, 2012
- Refactored and wrapped ldt-related fuctions · 0d7ea45a
  Valerio Mariani authored 13 years ago
  
  0d7ea45a
May 27, 2011
- Local per reside LDT · f50455be
  Valerio Mariani authored 14 years ago
  f50455be
Feb 21, 2011
- updated copyright notice · 4dd85f94
  Marco Biasini authored 14 years ago
  
  4dd85f94
- updated copyright notice · a97cead6
  Marco Biasini authored 14 years ago
  
  a97cead6
- updated copyright notice · 970dff3c
  Marco Biasini authored 14 years ago
  
  970dff3c
Dec 01, 2010
- added FilterClashes function · f2fc43a3
  Marco Biasini authored 14 years ago
  
  f2fc43a3
Nov 22, 2010
- added LocalDistTest variant to calculate LDT based on alignment · 0e577678
  Marco Biasini authored 14 years ago
  
  0e577678
Oct 01, 2010
- added LocalDistTest · 56874070
  Marco Biasini authored 14 years ago
  
  56874070