Commits · 5b0e6de4d8c773e0e8ae8c86c63cc339aa93154c · schwede / openstructure

Feb 26, 2016
- Put new InChI stuff in changelog · 5b0e6de4
  Bienchen authored 9 years ago
  
  5b0e6de4
- Retrieve InChIs via FindCompound in C++ · b52e85cf
  Bienchen authored 9 years ago
  
  b52e85cf
- Put new InChI stuff in changelog · 0419848b
  Bienchen authored 9 years ago
  
  0419848b
- Also load InChI key into the compoundslib, ment to be machine readable · 71cffd9a
  Bienchen authored 9 years ago
  
  71cffd9a
- Added InChI to comoundslib, enabled name in compoundslib · dce93795
  Bienchen authored 9 years ago
  
  dce93795
- Added inchi to compound · ef0ad315
  Bienchen authored 9 years ago
  
  ef0ad315
- Added indices for compound descritpors · 9be29bc5
  Bienchen authored 9 years ago
  
  9be29bc5
- Added new loop type in chemdict format · ad68af7f
  Bienchen authored 9 years ago
  
  ad68af7f
- Added column inchi_code to the compoundslib · 5d552c42
  Bienchen authored 9 years ago
  
  5d552c42
Feb 24, 2016
- Proper testing of existance of compounds lib · 044db2f6
  Bienchen authored 9 years ago
  
  044db2f6
- Made compoundslib unit tests conditional · 607a2778
  Bienchen authored 9 years ago
  
  607a2778
Feb 18, 2016
- Code cleanup: includes into io-subfolders, compile-warnings · cd8ea1c0
  Gerardo Tauriello authored 9 years ago
  
  cd8ea1c0
Feb 10, 2016
- Extended linker types in chemdict parser · 1c428a53
  Bienchen authored 9 years ago
  
  1c428a53
- Make all installed io profiles work with rule based processor · 2fadb05c
  Bienchen authored 9 years ago
  
  2fadb05c
- Removed HMM class (replaced by ProfileHandle) · 5e79ee9e
  Gerardo Tauriello authored 9 years ago
  
  5e79ee9e
Feb 09, 2016
- Doc update for seq.ProfileHandle class and io.LoadSequenceProfile · afb30763
  Gerardo Tauriello authored 9 years ago
  
  afb30763
- Added seq.ProfileHandle class and io.LoadSequenceProfile to work with profiles. · 22f082dd
  Gerardo Tauriello authored 9 years ago
  
  22f082dd
Dec 23, 2015
- bugfix · ba6e54f9
  Studer Gabriel authored 9 years ago
  
  ba6e54f9
- make sure, that disulfid bridge is only built to ONE other sulfur · 62cd2585
  Studer Gabriel authored 9 years ago
  
  62cd2585
Dec 17, 2015
- add export for len() · 173c8fd6
  Studer Gabriel authored 9 years ago
  
  173c8fd6
Nov 30, 2015
- make the GetIndex function of the HMMColumn publicly available · 5153f051
  Studer Gabriel authored 9 years ago
  
  5153f051
Nov 19, 2015
- proper check of indices in getter and setter of frequencies in HMMColumn · c7e86f51
  Studer Gabriel authored 9 years ago
  
  c7e86f51
Oct 30, 2015
- Added missing chem.type · 8b484de7
  Bienchen authored 9 years ago
  
  8b484de7
Oct 23, 2015
- Merge branch 'hotfix-1.4.1' into develop · 2394af2c
  Bienchen authored 9 years ago
  
  2394af2c
Oct 12, 2015
- type · 3fe5865d
  Studer Gabriel authored 9 years ago
  
  3fe5865d
- use proper wrapping function · 6551ea03
  Studer Gabriel authored 9 years ago
  
  6551ea03
Oct 09, 2015
- clean up python exports of mm module · 9ab0d8ab
  Studer Gabriel authored 9 years ago
  
  9ab0d8ab
Sep 25, 2015
- Added documentation for contact prediciton. · 1edfa21f
  BIOPZ-Johner Niklaus authored 9 years ago
  
  1edfa21f
- Added functions to predict contacts from MSAs. · 3515c3f3
  BIOPZ-Johner Niklaus authored 9 years ago
  
  3515c3f3
Sep 18, 2015
- Added 3 and 4-dimensional Float matrices. · 039408f8
  BIOPZ-Johner Niklaus authored 9 years ago
  
  039408f8
Sep 17, 2015
- Added Vec3 property. · 5635751a
  BIOPZ-Johner Niklaus authored 9 years ago
  
  5635751a
- Added CharList class · 220c1327
  BIOPZ-Johner Niklaus authored 9 years ago
  
  220c1327
- Added binding for a structural alignment tool 3DComb · 64e8ebb5
  BIOPZ-Johner Niklaus authored 10 years ago
  
  64e8ebb5
- Corrected a bug in SaveToTempdir when saving structures · 61aa372a
  BIOPZ-Johner Niklaus authored 10 years ago
  
  61aa372a
Sep 14, 2015
- Merge branch 'mm' into develop · df9e4aa3
  Bienchen authored 9 years ago
  
  df9e4aa3
- Added settings.hh · 851d6e1a
  Bienchen authored 9 years ago
  
  851d6e1a
Sep 04, 2015
- HHblits documentation · 2c9d9279
  Bienchen authored 9 years ago
  
  2c9d9279
Sep 03, 2015
- ParseA3M · 14ddc961
  Bienchen authored 9 years ago
  
  14ddc961
- Code polishing · 9b1ac0e6
  Bienchen authored 9 years ago
  
  9b1ac0e6
- Went through HHblits code · 5c60eb76
  Bienchen authored 9 years ago
  
  5c60eb76