Commits · d2c9add516c2d5e763bb44d16cb62a08e221a463 · schwede / openstructure · GitLab

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Mar 21, 2017
- SCHWED-1930: Updated download link. · d2c9add5
  Bienchen authored 8 years ago
  
  d2c9add5
Mar 20, 2017
- Merge branch 'ost-nightly-builds-script' into 'develop' · 0f2751e7
  Bienchen authored 8 years ago
  0f2751e7
- Doc update - more on hash codes and AtomView class. · a4f23eb9
  Gerardo Tauriello authored 8 years ago
  
  a4f23eb9
- Minor doc fix. · fc4c4005
  Gerardo Tauriello authored 8 years ago
  
  fc4c4005
- use compoundschemlib 1.6 instead of 1.4 · 1b2838bc
  pablo_import authored 8 years ago
  
  1b2838bc
- typo · 0a109b35
  pablo_import authored 8 years ago
  
  0a109b35
- check the exit status when deleting tmp dir · 28008388
  pablo_import authored 8 years ago
  
  28008388
- exit 1 if build failed · 2e418e05
  pablo_import authored 8 years ago
  
  2e418e05
- use $TMPDIR instead of /scratch · 4ae34798
  pablo_import authored 8 years ago
  
  4ae34798
- added sanity check to be sure the cloned branch exists · 62659df7
  pablo_import authored 8 years ago
  
  62659df7
- added script to build a nightly build from git repo · 60182ba9
  pablo_import authored 8 years ago
  
  60182ba9
Mar 17, 2017
- Making unit test suite fail on first problem · 71537586
  Bienchen authored 8 years ago
  
  71537586
- Added .gitlab-ci.yml for continuous integration via GitLab · 3982c3c9
  Bienchen authored 8 years ago
  
  3982c3c9
Mar 02, 2017
- Fixed broken string conversion in Python-exported OST logging. · 79173d49
  Gerardo Tauriello authored 8 years ago
  
  79173d49
Feb 13, 2017
- Doc update for Select queries. · b98ccb08
  Gerardo Tauriello authored 8 years ago
  
  b98ccb08
Jan 23, 2017
- Fixed Take method of SequenceList. · 55a725c0
  Gerardo Tauriello authored 8 years ago
  
  55a725c0
- Documented several undocumented features. · ec6bde94
  Gerardo Tauriello authored 8 years ago
  
  ec6bde94
Jan 17, 2017
- make sphinx warnings disappear · a3156b0d
  Studer Gabriel authored 8 years ago
  
  a3156b0d
- Doc cleanup to remove sphinx complaints. · 8ef8822d
  Gerardo Tauriello authored 8 years ago
  
  8ef8822d
- Make LogLevel enum available to Python and document GetVerbosityLevel. · 56414555
  Gerardo Tauriello authored 8 years ago
  
  56414555
Nov 16, 2016
- Refactoring of ProfileHandle class to make it safer to use. · ec529c4e
  Gerardo Tauriello authored 8 years ago
  ec529c4e
- Doc update for OST logging. · f0481673
  Gerardo Tauriello authored 8 years ago
  
  f0481673
Nov 15, 2016
- Fixed ost.mol.mm module description in doc. · b363586a
  Gerardo Tauriello authored 8 years ago
  
  b363586a
- Python export for ProfileHandleList is not required · c89564bc
  Studer Gabriel authored 8 years ago
  
  c89564bc
Nov 11, 2016
- make ProfileHandleList to a vector pointers · d3c85f00
  Studer Gabriel authored 8 years ago
  
  d3c85f00
- introduce a ProfileHandleList typedef · c9a61734
  Studer Gabriel authored 8 years ago
  
  c9a61734
Nov 10, 2016
- Merge branch 'master' into develop · c10b25c2
  Bienchen authored 8 years ago
  
  c10b25c2
- Merge branch 'release-1.6' · 9452a72c
  Bienchen authored 8 years ago
  
  View commits for tag 1.6.0 1.6.0
  
  9452a72c
Nov 09, 2016
- SCHWED-1549: Implemented profile-profile scoring. · 565746ed
  Gerardo Tauriello authored 8 years ago
  
  565746ed
Nov 03, 2016
- Updated doc of AminoAcid (it's finally seen as a class). · 3d719b4b
  Gerardo Tauriello authored 8 years ago
  
  3d719b4b
- Added static Simulation::IsPlatformAvailable method to check OpenMM platforms. · 2f3a3a68
  Gerardo Tauriello authored 8 years ago
  
  2f3a3a68
Oct 31, 2016
- Fixed doc for editors. · 8835ca8d
  Gerardo Tauriello authored 8 years ago
  
  8835ca8d
Oct 26, 2016
- Use new EnsurePluginsLoaded functionality in Simulation::Init. · 6fb44884
  Gerardo Tauriello authored 8 years ago
  
  6fb44884
- OpenMM plugin folders are only loaded once per path per execution. · 4b4401ea
  Gerardo Tauriello authored 8 years ago
  
  4b4401ea
Oct 17, 2016
- Fixes: atom_names in topo creater, GetNumUreyBradleyAngles export and doc. · 9c2c35cc
  Gerardo Tauriello authored 8 years ago
  
  9c2c35cc
Oct 10, 2016
- Added doc for ost.mol.ResNum (was about time). · 58fd0538
  Gerardo Tauriello authored 8 years ago
  
  58fd0538
- Bugfix: Gromacs position rule 9 was leading to segfault. · 8512d2a7
  Gerardo Tauriello authored 8 years ago
  
  8512d2a7
Oct 05, 2016
- Allow for more data to be extracted from mol.mm objects. · 451fec3f
  Gerardo Tauriello authored 8 years ago
  
  451fec3f
Sep 25, 2016
- fix bugs in equal operators · ef6ffde9
  Studer Gabriel authored 8 years ago
  ef6ffde9
Sep 06, 2016
- Added function to set the unit cell size of a frame in a CoordGroup · 894bc7ad
  BIOPZ-Johner Niklaus authored 8 years ago
  
  894bc7ad