Commits · 1ddb7ab9b0c6e69cd37e156b16e44461e335a7c3 · schwede / openstructure · GitLab

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Apr 24, 2018
- fix: SCHWED-3096 Update for newest codebase · 1ddb7ab9
  Rafal Gumienny authored 6 years ago
  
  1ddb7ab9
Apr 23, 2018
- Merge branch 'develop' into dockerize · edc9abe2
  Gerardo Tauriello authored 6 years ago
  
  edc9abe2
- 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 6 years ago
  
  c6664488
- Merge branch 'Molck-SCHWED-3126' into develop · fe329326
  Gerardo Tauriello authored 6 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 6 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 16, 2018
- Removed use of env. variable in Singularity-OST help message. · ce80b56a
  Gerardo Tauriello authored 7 years ago
  
  ce80b56a
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 14, 2018
- docs: SCHWED-3097 More documentation · 56112523
  Rafal Gumienny authored 7 years ago
  
  56112523
- docs: SCHWED-3097 More help in singularity image · 765e63a3
  Rafal Gumienny authored 7 years ago
  
  765e63a3
- fix: SCHWED-3097 Add IPython OST app · 1b1874c6
  Rafal Gumienny authored 7 years ago
  
  1b1874c6
- docs: SCHWED-3096 Update docker README · 822b6cce
  Rafal Gumienny authored 7 years ago
  
  822b6cce
- docs: SCHWED-3097 Explain were to use root better · 41f76d14
  Rafal Gumienny authored 7 years ago
  
  41f76d14
- fix: SCHWED-3097 Lower the size of the image · de091bbf
  Rafal Gumienny authored 7 years ago
  
  de091bbf
- fix: SCHWED-3097 Proper app run command · c3b5f328
  Rafal Gumienny authored 7 years ago
  
  c3b5f328
- fix: SCHWED-3097 Fix broken locales · 655bc6d0
  Rafal Gumienny authored 7 years ago
  
  655bc6d0
- docs: SCHWED-3097 Update README · 980354b9
  Rafal Gumienny authored 7 years ago
  
  980354b9
Mar 13, 2018
- fix: SCHWED-3097 Some commands do not need virtualenv · 8cd2d0a4
  Rafal Gumienny authored 7 years ago
  
  8cd2d0a4