Commits · 4172eee94012e72431dbf0e855e9c72007e04cea · schwede / openstructure · GitLab

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Jun 12, 2024
- Simplify imports · 4172eee9
  Xavier Robin authored 11 months ago
  4172eee9
Sep 08, 2022
- no automatic import of lddt, scoring and chain_mapping in mol.alg __init__.py · 6529d141
  Studer Gabriel authored 2 years ago
  6529d141
May 17, 2022
- lDDT: add lDDT based chain mapping functionality - work in progress · f70681e4
  Studer Gabriel authored 3 years ago
  
  f70681e4
Apr 27, 2022
- lDDT: add specialized lDDT flavours - Introducing: lDDT-BS · 07e47858
  Studer Gabriel authored 3 years ago
  
  07e47858
Apr 08, 2022
- add fast and flexible Python lDDT implementation · 476a95c9
  Studer Gabriel authored 3 years ago
  
  476a95c9
Nov 15, 2019
- Fixed implicit relative import for Python modules in shared object files · b4a37afc
  Studer Gabriel authored 5 years ago
  b4a37afc
Aug 13, 2014
- Added a module for H-bond calculations · 3fa22cdd
  niklaus johner authored 10 years ago and BIOPZ-Johner Niklaus committed 10 years ago
  3fa22cdd
Mar 08, 2013
- Additional fix to ClashingDistance python wrappers · 357aadf9
  Valerio Mariani authored 12 years ago
  
  357aadf9
Feb 05, 2013
- Refactored iinterface and export of ClashingDistance class · 7030b108
  Valerio Mariani authored 12 years ago
  
  7030b108
Jan 11, 2013
- Additional fix to ClashingDistance python wrappers · e9b1d4e6
  Valerio Mariani authored 12 years ago
  
  e9b1d4e6
Nov 28, 2012
- Refactored iinterface and export of ClashingDistance class · 8a18bea2
  Valerio Mariani authored 12 years ago
  
  8a18bea2
Jun 18, 2012
- Lddt documentation part 1: In-code documentation · 12418edf
  Valerio Mariani authored 12 years ago
  
  12418edf
Jun 04, 2012
- New helper functions and updated stereo chemical parameter file · ba19c9a0
  Valerio Mariani authored 12 years ago
  
  ba19c9a0
May 31, 2012
- Added helper function to fill ClashingDistances · 7e87fd60
  Valerio Mariani authored 13 years ago
  
  7e87fd60
May 21, 2012
- Added a python module for the determination of helix kink angles · bfff1c29
  Niklaus Johner authored 13 years ago
  
  bfff1c29
- Added a python module for structure analysis · ae4a7e86
  Niklaus Johner authored 13 years ago
  ae4a7e86
- Added python module trajectory_analysis.py with a function · 6e657c15
  Niklaus Johner authored 13 years ago
  6e657c15
May 23, 2011
- Introduction of a convenience function for superposing molecules (wrapper around SuperposeSVD) · dc0079a7
  Bienchen authored 14 years ago
  
  dc0079a7
May 17, 2011
- changed cmake scripts to allow building as subproject / moved common... · f17d0eaf
  Andreas Schenk authored 14 years ago
  f17d0eaf
Feb 26, 2010
- add missing return · 139a2ff4
  marco authored 15 years ago
  139a2ff4