Commits · e4d7406a06f272dc6a6c2c4f503abf8b38389e2b · schwede / openstructure · GitLab

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Aug 14, 2018
- SCHWED-3409: Update install instructions for container images. · e4d7406a
  Gerardo Tauriello authored 6 years ago
  
  e4d7406a
- SCHWED-3407: Doc and changelog updated. · f1aae2eb
  Gerardo Tauriello authored 6 years ago
  
  f1aae2eb
- fix: Remove unused variable from Dockerfile · 5b81bfc6
  Rafal Gumienny authored 6 years ago
  
  5b81bfc6
- fix: Singularity update nglview · 87645e74
  Rafal Gumienny authored 6 years ago
  
  87645e74
Aug 13, 2018
- SCHWED-3566: Fixed inconsistent handling of sidechain and backbone issues. · 52e9c148
  Gerardo Tauriello authored 6 years ago
  
  52e9c148
- Fixed nasty exports (segfaulting with wrong arguments). · 41f36de0
  Gerardo Tauriello authored 6 years ago
  
  41f36de0
- Ensure that RuleBasedProcessor is never created with a None/NULL library. · cdb30491
  Gerardo Tauriello authored 6 years ago
  
  cdb30491
- Fixed memory leak in CompoundLib. · 0cd48003
  Gerardo Tauriello authored 6 years ago
  
  0cd48003
- Merge branch 'compile_with_gcc7' into develop · db786215
  Gerardo Tauriello authored 6 years ago
  db786215
Aug 10, 2018
- SCHWED-3473: doc update · 137f09dc
  Gerardo Tauriello authored 6 years ago
  
  137f09dc
- SCHWED-3473: streams need explicit conversion to bool. · bc8de7cd
  Gerardo Tauriello authored 6 years ago
  
  bc8de7cd
- SCHWED-3473: revert some changes in filter_clashes · 9243b6a7
  Gerardo Tauriello authored 6 years ago
  
  9243b6a7
Aug 09, 2018
- Doc fix: remove unneeded import from example · c9c20a0a
  Gerardo Tauriello authored 6 years ago
  
  c9c20a0a
- SCHWED-3473: Revert round changes. Use C++ version of functions. · b0e7e5b9
  Gerardo Tauriello authored 6 years ago
  
  b0e7e5b9
- Merge branch 'develop' into compile_with_gcc7 · a184ed69
  Gerardo Tauriello authored 6 years ago
  
  a184ed69
- SCHWED-3472: Unit test for hhblits.ParseHeaderLine taken from SM · 661c5e67
  Gerardo Tauriello authored 6 years ago
  
  661c5e67
- SCHWED-3472: skip dssp lines in hhr files and better document parsing. · e5998ab4
  Gerardo Tauriello authored 6 years ago
  
  e5998ab4
Aug 07, 2018
- Doc: fixed alignment i/o examples. · df390f16
  Gerardo Tauriello authored 6 years ago
  
  df390f16
Jul 31, 2018
- SCHWED-3472: Always clean up after examples. · 20ac05ea
  Gerardo Tauriello authored 6 years ago
  
  20ac05ea
- SCHWED-3472: Standardize options-passing for HHblits bindings. · 9bb56462
  Gerardo Tauriello authored 6 years ago
  
  9bb56462
- SCHWED-3472: Remove print statements. · d751f00c
  Gerardo Tauriello authored 6 years ago
  
  d751f00c
- SCHWED-3472: Merged HHblits changed from SM into OST. · 75f24bfe
  Gerardo Tauriello authored 6 years ago
  
  75f24bfe
- SCHWED-3472: Removed SM specific HHblits code. · b7dc72a6
  Gerardo Tauriello authored 6 years ago
  
  b7dc72a6
Jul 20, 2018
- Remove useless extra re-join of abs. path. · ca276397
  Gerardo Tauriello authored 6 years ago
  
  ca276397
- Doc and style fixes in HHblits binding. · 4d65fea6
  Gerardo Tauriello authored 6 years ago
  
  4d65fea6
- fix: Update DSSP URL in Singularity · 1f86bfe5
  Rafal Gumienny authored 6 years ago
  
  1f86bfe5
Jul 19, 2018
- fix: Updated dssp FTP address · 8e73bf77
  Rafal Gumienny authored 6 years ago
  
  8e73bf77
Jul 18, 2018
- Doc update · 9cafc9de
  Gerardo Tauriello authored 6 years ago
  
  9cafc9de
- Doc update. · f5bb95d8
  Gerardo Tauriello authored 6 years ago
  
  f5bb95d8
- Added chain_mapping_scheme to qsscoring and compare-structures. · 0f7868c5
  Gerardo Tauriello authored 6 years ago
  
  0f7868c5
Jul 10, 2018
- Merge branch 'develop' into compile_with_gcc7 · dd80e93a
  Studer Gabriel authored 6 years ago
  
  dd80e93a
- make compare_files function more sane · 00f891c7
  Studer Gabriel authored 6 years ago
  
  00f891c7
- Check for number of atoms in CalculateRMSD · 38ae5213
  Studer Gabriel authored 6 years ago
  38ae5213
Jul 06, 2018
- Doc fix: enum is called ViewAddFlag not ViewAddFlags. · f3eca858
  Gerardo Tauriello authored 6 years ago
  
  f3eca858
Jul 02, 2018
- Fix return code when executing actions. · c189a76d
  Gerardo Tauriello authored 6 years ago
  
  View commits for tag CASP13-v1.0.5 CASP13-v1.0.5
  
  c189a76d
- Added CA RMSD to compare-structures. · 4372f715
  Gerardo Tauriello authored 6 years ago
  
  4372f715
Jun 29, 2018
- Make reading of ANISOU record more permissive if hetatms are disabled · 846761e9
  Studer Gabriel authored 6 years ago
  846761e9
Jun 11, 2018
- Merge branch 'QS-Scores' into develop · 7c6e0465
  Gerardo Tauriello authored 6 years ago
  View commits for tag CASP13-v1.0.4 CASP13-v1.0.4
  
  7c6e0465
- SCHWED-3236: Clarify limitation of model-chain-penalties. · 1cbe5335
  Gerardo Tauriello authored 6 years ago
  
  1cbe5335
- Removed unused code. · d6513a40
  Gerardo Tauriello authored 6 years ago
  
  d6513a40