Commits · 2cc7c92d870603cb4c69127a280af97193dbe849 · schwede / openstructure · GitLab

Snippets Groups Projects

Apr 23, 2018
- Updated CHANGELOG · 2cc7c92d
  Gerardo Tauriello authored 6 years ago
  
  2cc7c92d
- Merge branch 'lDDT-SCHWED-3127' into develop · 924f654d
  Gerardo Tauriello authored 6 years ago
  
  Refactor of lddt binary functionality to be usable w/o binary.
  924f654d
- Merge branch 'develop' into lDDT-SCHWED-3127 · c6664488
  Gerardo Tauriello authored 7 years ago
  
  c6664488
- Merge branch 'Molck-SCHWED-3126' into develop · fe329326
  Gerardo Tauriello authored 7 years ago
  
  Refactor of Molck functionality to be usable outside of the molck binary.
  fe329326
- Merge branch 'develop' into Molck-SCHWED-3126 · 98ec827d
  Gerardo Tauriello authored 7 years ago
  
  98ec827d
Apr 12, 2018
- Fixed loading from PDB file, secondary structure stays unchanged · 79a12145
  Bienchen authored 7 years ago
  
  79a12145
- Fixed loading from mmCIF file, secondary structure stays unchanged · 21862098
  Bienchen authored 7 years ago
  
  21862098
- Doc fix · a4282c28
  Gerardo Tauriello authored 7 years ago
  
  a4282c28
Apr 04, 2018
- Doc update for residue validity and connectivity. · 9d5a38b0
  Gerardo Tauriello authored 7 years ago
  
  9d5a38b0
Mar 31, 2018
- make build system on bc2 happy · 854d87ba
  Studer Gabriel authored 7 years ago
  
  854d87ba
- initial commit for membrane finding algorithm · 8258ae7e
  Studer Gabriel authored 7 years ago
  
  8258ae7e
- Handle the case when atoms are on top of each other · cabeb088
  Studer Gabriel authored 7 years ago
  
  Do the same as NACCESS: assign 0.0
  cabeb088
- avoid to unnecessary dump positions, when they're anyway stored in the OpenMM context · 5600cf71
  Studer Gabriel authored 7 years ago
  
  5600cf71
- speedups in updating positions in simulation entity · ea06f0a2
  Studer Gabriel authored 7 years ago
  
  ea06f0a2
Mar 22, 2018
- Merge branch 'develop' into lDDT-SCHWED-3127 · 8de7d161
  Rafal Gumienny authored 7 years ago
  
  8de7d161
- fix: SCHWED-3127 A better message if the selection fails · c10d8100
  Rafal Gumienny authored 7 years ago
  
  c10d8100
Mar 21, 2018
- Fixed documentation. · be3a76f5
  Gerardo Tauriello authored 7 years ago
  
  be3a76f5
- Fixed missing include. · cae62fbf
  Gerardo Tauriello authored 7 years ago
  
  cae62fbf
Mar 20, 2018
- Fix segfault in central_normal and test/document code. · 2b36aaa2
  Gerardo Tauriello authored 7 years ago
  
  2b36aaa2
- fix: SCHWED-3128 Enable selections for lDDT references · 6a3f17a4
  Rafal Gumienny authored 7 years ago
  
  6a3f17a4
- fix: SCHWED-3128 Add ost.mol.alg to io dependencies · 7a99285c
  Rafal Gumienny authored 7 years ago
  
  7a99285c
- Merge branch 'Molck-SCHWED-3126' into lDDT-SCHWED-3127 · 51e0990a
  Rafal Gumienny authored 7 years ago
  
  51e0990a
- Merge branch 'develop' into lDDT-SCHWED-3127 · acc2c894
  Rafal Gumienny authored 7 years ago
  
  acc2c894
- Merge branch 'develop' into Molck-SCHWED-3126 · 3780482c
  Rafal Gumienny authored 7 years ago
  
  3780482c
Mar 15, 2018
- docs: SCHWED-3127 Documentation for lDDT facilities · fc2cc9f6
  Rafal Gumienny authored 7 years ago
  
  fc2cc9f6
- fix: SCHWED-3127 Extract correct variables · f377869e
  Rafal Gumienny authored 7 years ago
  
  f377869e
- Fixed a glitch in the documentation · 1e3578ba
  Bienchen authored 7 years ago
  
  1e3578ba
- Fixed a glitch in the documentation · 9e0d04fb
  Bienchen authored 7 years ago
  
  9e0d04fb
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
- fix: SCHWED-3127 Typo in the StereoChemicalParamsReader props path · 3c9fc8d4
  Rafal Gumienny authored 7 years ago
  
  3c9fc8d4
- 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
Feb 27, 2018
- Merge branch 'master' into develop · d02a37ec
  Bienchen authored 7 years ago
  
  d02a37ec
- Merge branch 'hotfix-1.7.1' · 707417eb
  Bienchen authored 7 years ago
  
  View commits for tag 1.7.1 1.7.1
  
  707417eb
- Changelog for OST 1.7.1 · 07c3773d
  Bienchen authored 7 years ago
  
  07c3773d
- Increased patch number · 5f649956
  Bienchen authored 7 years ago
  
  5f649956
- Fixed star parser, prevent him from going into an infinite loop if an early line starts with a "g" · 2ad2d05b
  Bienchen authored 7 years ago
  
  2ad2d05b