Commits · 686529ecc944cccc07127b06b3cefb4446f5854d · schwede / openstructure

Apr 22, 2013
- Added feature in FilterClashes and CheckStereoChemistry to report · 686529ec
  Valerio Mariani authored 12 years ago
  686529ec
Apr 11, 2013
- Moved logging logic out of functions and into the main lddt code · c89a8ba6
  Valerio Mariani authored 12 years ago
  c89a8ba6
Mar 18, 2013
- unfail unittests · ee9141e2
  Marco Biasini authored 12 years ago and Bienchen committed 12 years ago
  
  ee9141e2
Nov 28, 2012
- Refactored iinterface and export of ClashingDistance class · 8a18bea2
  Valerio Mariani authored 12 years ago
  
  8a18bea2
Oct 08, 2012
- Changed name of CheckResidueTypes function and chain comparison logic · 12cf54e7
  Valerio Mariani authored 12 years ago
  12cf54e7
- Added residue name consistency check · 86029263
  Valerio Mariani authored 12 years ago
  
  86029263
Jul 06, 2012
- Fixed export of default value for LDDTHA · 6f5b1baa
  Valerio Mariani authored 13 years ago
  
  6f5b1baa
- Fixed export of default value for LDDTHA · e1bf8196
  Valerio Mariani authored 13 years ago
  
  e1bf8196
Jun 23, 2012
- fix broken hammer · eec8a11c
  Marco Biasini authored 13 years ago
  eec8a11c
Jun 19, 2012
- Sorry forgot the wrapper! · 2d712e12
  Valerio Mariani authored 13 years ago
  
  2d712e12
Jun 15, 2012
- Lddt now reports exact count of conserved and toatal distances · 72cb7cad
  Valerio Mariani authored 13 years ago
  72cb7cad
Jun 14, 2012
- Updated ldt name in the code to lddt · ca1b73af
  Valerio Mariani authored 13 years ago
  ca1b73af
Jun 12, 2012
- Removed default clashing distances · 91f2c7ee
  Valerio Mariani authored 13 years ago
  
  91f2c7ee
Jun 11, 2012
- Fix for missing symbol and wrapper · b0d17b24
  Valerio Mariani authored 13 years ago
  
  b0d17b24
- New map-based ldt implementation · adb031b5
  Valerio Mariani authored 13 years ago
  
  adb031b5
May 26, 2012
- Wrapper exposing old version of the LocalDistanceTest interface · 72276baf
  Valerio Mariani authored 13 years ago
  
  72276baf
May 21, 2012
- Corrected the export for SuperposeFrames. There was a conflict between · 7fb7086e
  Niklaus Johner authored 13 years ago
  7fb7086e
Apr 11, 2012
- 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
Nov 29, 2011
- Initial icommit for the refactoring of ldt · 71f0e9ef
  Valerio Mariani authored 13 years ago
  
  71f0e9ef
Jul 07, 2011
- Overload for the SuperposeFrame function, so that a trajectory can be... · 70689aa3
  Niklaus Johner authored 14 years ago
  70689aa3
Jun 06, 2011
- basic trajectory_analysis tools · 33c22554
  nij2003 authored 14 years ago
  
  33c22554
May 27, 2011
- Local per reside LDT · f50455be
  Valerio Mariani authored 14 years ago
  f50455be
May 17, 2011
- changed cmake scripts to allow building as subproject / moved common... · f17d0eaf
  Andreas Schenk authored 14 years ago
  f17d0eaf
Mar 24, 2011
- completely remove QA module from OpenStructure · 91297c11
  Marco Biasini authored 14 years ago
  91297c11
Mar 01, 2011
- Construct Cbeta added to mol::alg;Repaire Cbeta function added to all-atom... · ea331ec3
  Pascal Benkert authored 14 years ago
  ea331ec3
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 30, 2010
- added always_remove_bb parameter to FilterClashes · 8e73634f
  Marco Biasini authored 14 years ago
  
  8e73634f
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 12, 2010
- added function to efficiently superpose coord group frames · 7ef550a7
  Marco Biasini authored 14 years ago
  
  7ef550a7
Oct 01, 2010
- added LocalDistTest · 56874070
  Marco Biasini authored 14 years ago
  
  56874070
Jun 09, 2010
- merged changes in trunk from 2190 to 2367 into new shell branch · e05ca2c6
  andreas authored 15 years ago
  e05ca2c6
May 26, 2010
- Staging of the scattering factor table · 735cbb19
  valerio authored 15 years ago
  735cbb19