Commits · b95e80959cadd673855686c5bf5c46b6e35a4fd1 · schwede / openstructure · GitLab

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Apr 11, 2018
- fix: SCHWED-3120 Move lDDT calculations to OligolDDTScorer · b95e8095
  Rafal Gumienny authored 7 years ago
  
  b95e8095
- fix: SCHWED-3120 Pull out CheckStructure · 1c15d14e
  Rafal Gumienny authored 7 years ago
  
  1c15d14e
Apr 04, 2018
- fix: SCHWED-3120 Calculate more lDDT scores · d5e548f9
  Rafal Gumienny authored 7 years ago
  
  d5e548f9
- refactor: SCHWED-3120 Extract lDDTScorer object and adapt other modules · 08fa0685
  Rafal Gumienny authored 7 years ago
  
  08fa0685
Mar 05, 2018
- feat: SCHWED-3127 Exposed more functions and simplified the code · 39e5f504
  Rafal Gumienny authored 7 years ago
  
  39e5f504
Mar 02, 2018
- feat: SCHWED-3127 Exposed functions neccessary to run lDDT using python · 3abeaf85
  Rafal Gumienny authored 7 years ago
  
  3abeaf85
- feat: SCHWED-3127 More convenience functions for lDDT calculation and printing · 2a6bb66a
  Rafal Gumienny authored 7 years ago
  
  2a6bb66a
Mar 01, 2018
- feat: SCHWED-3127 Added lDDTSettings · 86ae912b
  Rafal Gumienny authored 7 years ago
  
  86ae912b
- feat: SCHWED-3127 Add check structure functionality · 1b0f02fb
  Rafal Gumienny authored 7 years ago
  
  1b0f02fb
Feb 28, 2018
- refactor: SCHWED-3127 Move reference preparation to separate functions · 9f53a6cf
  Rafal Gumienny authored 7 years ago
  
  9f53a6cf
May 10, 2013
- Fixes for c++11 syntax (as given by VC2012) · 55ecbaba
  ansgar authored 12 years ago
  
  55ecbaba
Apr 22, 2013
- Added feature in FilterClashes and CheckStereoChemistry to report · 686529ec
  Valerio Mariani authored 12 years ago
  686529ec
Aug 24, 2012
- protect against empty models · 8d56fbee
  Marco Biasini authored 12 years ago
  8d56fbee
Jun 21, 2012
- more testing · 58b34cb4
  Marco Biasini authored 13 years ago
  
  58b34cb4
- do the right thing for incomplete structures · 34d990ed
  Marco Biasini authored 13 years ago
  
  34d990ed
- uncomment this · 341dcd72
  Marco Biasini authored 13 years ago
  
  341dcd72
- take care of remaining problems in lDDT · 797a6366
  Marco Biasini authored 13 years ago
  797a6366
Jun 20, 2012
- Partial fix of the residue by residue ldt score · 7295281c
  Valerio Mariani authored 13 years ago
  
  7295281c
- Fixed problem with merged distance lists · 6674be51
  Valerio Mariani authored 13 years ago
  
  6674be51
- speed up lddt calculation between 2 and 4 times · 095c3681
  Marco Biasini authored 13 years ago
  095c3681
Jun 19, 2012
- Sequence separation support for lddt + multiple chain warning · 29c331bc
  Valerio Mariani authored 13 years ago
  
  29c331bc
- Removed tabs and one warning in ldt-related code · b2658f9c
  Valerio Mariani authored 13 years ago
  
  b2658f9c
Jun 18, 2012
- Lddt documentation part 1: In-code documentation · 12418edf
  Valerio Mariani authored 13 years ago
  
  12418edf
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
- Added ifdef for boost v3 · a1ab34b0
  Valerio Mariani authored 13 years ago
  
  a1ab34b0
Jun 12, 2012
- Fixed bug for cutoff-sequence dependency. Fixed local ldts in new LocalDistTest. Other fixes · b6dae426
  Valerio Mariani authored 13 years ago
  
  b6dae426
- fixed isssue with const_reverse_iterator on older g++ compilers · 8bf7b143
  Andreas Schenk authored 13 years ago
  8bf7b143
- Support for ldt with multiple references. Optimized · 1a45d91c
  Valerio Mariani authored 13 years ago
  
  1a45d91c
Jun 11, 2012
- Fixed typo. Sorry · eb124182
  Valerio Mariani authored 13 years ago
  
  eb124182
- New map-based ldt implementation · adb031b5
  Valerio Mariani authored 13 years ago
  
  adb031b5
Jun 07, 2012
- removed one more pytho · a62f425c
  Andreas Schenk authored 13 years ago
  a62f425c
May 26, 2012
- Wrapper exposing old version of the LocalDistanceTest interface · 72276baf
  Valerio Mariani authored 13 years ago
  
  72276baf
May 25, 2012
- Added stere-chemical and clashing statistics to the output. Tweaked logging system · 42761b45
  Valerio Mariani authored 13 years ago
  
  42761b45
May 01, 2012
- Fixed a couple of bugs in ldt · 21903277
  Valerio Mariani authored 13 years ago
  
  21903277
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
- 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