Commits · 30720cef3ac73a1a5d23f28a035bd233ae3360a3 · schwede / openstructure · GitLab

Snippets Groups Projects

Jun 05, 2018
- Merge branch 'develop' into QS-Scores · 30720cef
  Gerardo Tauriello authored 6 years ago
  
  30720cef
- Override default comp. lib with given parameter. · 4a8fa08a
  Gerardo Tauriello authored 6 years ago
  
  4a8fa08a
- Limit compare-structures to peptides. · 68068232
  Gerardo Tauriello authored 6 years ago
  
  68068232
- Reorder compare-structures arguments and fix default handling. · 7f54d59c
  Gerardo Tauriello authored 6 years ago
  
  7f54d59c
Jun 04, 2018
- Doc fix: '\0' displayed badly in sphinx. · a83e67df
  Gerardo Tauriello authored 6 years ago
  
  a83e67df
- SCHWED-3292: fixed segfault for EntityView.RemoveChain with GetChainList. · e91954d6
  Gerardo Tauriello authored 6 years ago
  
  Combination of reference_existing_object and RemoveChain can lead to segfaults. Overhead of change is 1us per call for a test case with 18 chains. Hence it is absolutely negligible.
  e91954d6
May 25, 2018
- Deal with chain names with spaces or only space. · be69cfb5
  Gerardo Tauriello authored 6 years ago
  
  View commits for tag CASP13-v1.0.3 CASP13-v1.0.3
  
  be69cfb5
- Catch ClustalW issues with spaces in sequence names. · 28ccc3cf
  Gerardo Tauriello authored 6 years ago
  
  28ccc3cf
- Removed compile warnings. · 59e8b1f0
  Gerardo Tauriello authored 6 years ago
  
  59e8b1f0
- Bugfix: connectivity needed for molck result to work in structural checks of compare-structure. · 2de9df8c
  Gerardo Tauriello authored 6 years ago
  
  2de9df8c
- avoid overflow · 95182f8e
  Studer Gabriel authored 6 years ago
  
  95182f8e
May 23, 2018
- Properly cite Martino's paper in QS-doc · 98f7975f
  Gerardo Tauriello authored 6 years ago
  
  98f7975f
Apr 27, 2018
- Fix: keep entity name when molcking. · e5a17cd6
  Gerardo Tauriello authored 6 years ago
  
  View commits for tag CASP13-v1.0.2 CASP13-v1.0.2
  
  e5a17cd6
- Fix: consistency check can only pass if all alignments ok · 6fc6e6f3
  Gerardo Tauriello authored 6 years ago
  
  6fc6e6f3
- SCHWED-3235: penalized oligo lDDT scores. · 7375615d
  Gerardo Tauriello authored 6 years ago
  
  7375615d
- Fixed IFS handling in ost launcher (used to break on Macs). · f56ae2ed
  Gerardo Tauriello authored 6 years ago
  
  f56ae2ed
- docs: SCHWED-3121 Clarify calculation of lDDT global score · ff1f4cf7
  Rafal Gumienny authored 6 years ago
  
  ff1f4cf7
- Merge branch 'QS-Scores' of https://git.scicore.unibas.ch/schwede/openstructure into QS-Scores · efc2fe56
  Rafal Gumienny authored 6 years ago
  
  efc2fe56
- docs: SCHWED-3121 Fix typo · 16e396f0
  Rafal Gumienny authored 6 years ago
  
  16e396f0
Apr 26, 2018
- SCHWED-3234: Implemented helper class for mapped single-chain lDDT. · 8a614a5c
  Gerardo Tauriello authored 6 years ago
  
  8a614a5c
- Fix sphinx warnings/errors · 73fd434a
  Gerardo Tauriello authored 6 years ago
  
  73fd434a
- docs: SCHWED-3121 Update lDDT examples · aca26f51
  Rafal Gumienny authored 6 years ago
  
  aca26f51
- docs: SCHWED-3121 Update ReadStereoChemicalPropsFile documentation · 18dcd749
  Rafal Gumienny authored 6 years ago
  
  18dcd749
- fix: SCHWED-3121 Fix typo in label · d945f66e
  Rafal Gumienny authored 6 years ago
  
  d945f66e
- docs: SCHWED-3132 Update function documentation that do not use lDDTSettings anymore · a0cf7b59
  Rafal Gumienny authored 6 years ago
  
  a0cf7b59
- docs: SCHWED-3121 Add lDDTScorer documentation · e755be76
  Rafal Gumienny authored 6 years ago
  
  e755be76
- docs: SCHWED-3121 Add StereoChemicalProps documentation · bdf9fa2c
  Rafal Gumienny authored 6 years ago
  
  bdf9fa2c
- fix: SCHWED-3121 Remove StereoChemicalProps from lDDTScorer · 34c84be9
  Rafal Gumienny authored 6 years ago
  
  34c84be9
- docs: Update lDDTSettings documentation · 6f4661f9
  Rafal Gumienny authored 6 years ago
  
  6f4661f9
- chore: Update CHANGELOG · 96eb2d00
  Rafal Gumienny authored 6 years ago
  
  96eb2d00
- chore: Ignore image files · 644dafdb
  Rafal Gumienny authored 6 years ago
  
  644dafdb
- fix: SCHWED-3121 Remove qs-score action, update documentation · b7420f79
  Rafal Gumienny authored 6 years ago
  
  b7420f79
- test: SCHWED-3121 Update tests to new setup · ccf15e19
  Rafal Gumienny authored 6 years ago
  
  ccf15e19
- fix: SCHWED-3121 Remove consistency check from scorer · 336f5a66
  Rafal Gumienny authored 6 years ago
  
  336f5a66
Apr 25, 2018
- fix: SCHWED-3121 Remove selection from lDDTScorer · ee157e4f
  Rafal Gumienny authored 6 years ago
  
  ee157e4f
- fix: SCHWED-3121 Remove structural checks from lDDTScorer · 62feb1da
  Rafal Gumienny authored 6 years ago
  
  62feb1da
- fix: SCHWED-3121 Use calpha_only fron LoadPDB and LoadMMCIF · 410a489b
  Rafal Gumienny authored 6 years ago
  
  410a489b
- fix: SCHWED-3121 Consistency check performed on renumbered entities · 489e84b2
  Rafal Gumienny authored 6 years ago
  
  489e84b2
- fix: SCHWED-3121 Allow selection for models and references and use it for all scores · f6d06f3e
  Rafal Gumienny authored 6 years ago
  
  f6d06f3e
Apr 24, 2018
- CA-only means CA-only for all scores. · c9fcbc7c
  Gerardo Tauriello authored 6 years ago
  
  c9fcbc7c