Commits · a8df8ddd7eb24602d9478fe4042331509672692f · schwede / openstructure · GitLab

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Nov 14, 2019
- Clarified reference vs model in QSscorer.GetOligoLDDTScorer · a8df8ddd
  Gerardo Tauriello authored 5 years ago
  
  a8df8ddd
Oct 23, 2019
- Actually apply transformation in dng Align functionality · 3a3eb8ee
  Studer Gabriel authored 5 years ago
  
  3a3eb8ee
- Allow to choose remote repository if remote=True in io.LoadPDB · 4ce52b58
  Studer Gabriel authored 5 years ago
  
  4ce52b58
Oct 14, 2019
- SCHWED-4368: export new MMCifInfo functionality to Python · c7eced1e
  Gerardo Tauriello authored 5 years ago
  
  c7eced1e
- SCHWED-4368: Read revision version numbers from mmCIF files. · a1d54b48
  Gerardo Tauriello authored 5 years ago
  
  a1d54b48
- SCHWED-4368: Extend MMCifInfo to handle revision version numbers. · 2d3c4594
  Gerardo Tauriello authored 5 years ago
  
  2d3c4594
Oct 04, 2019
- doc: don't document Boost-Python internal stuff. Show numeric comparisons instead. · 85ca368f
  Xavier Robin authored 5 years ago
  
  85ca368f
Oct 03, 2019
- doc: Document the use of LogLevel enums · f7a49532
  Xavier Robin authored 5 years ago
  
  f7a49532
- doc: I can never remember what the numeric levels are. · 9b927d48
  Xavier Robin authored 5 years ago
  
  9b927d48
Sep 30, 2019
- SCHWED-4328: clean up Boost includes · aef8a660
  Gerardo Tauriello authored 5 years ago
  
  aef8a660
- SCHWED-4328: remove deprecated Boost unit test usage. · 146afe38
  Gerardo Tauriello authored 5 years ago
  
  This should be ok for Boost > 1.33 and was tested with Boost >= 1.53.
  146afe38
- Fix = check in unit test. · 5c4a425c
  Gerardo Tauriello authored 5 years ago
  
  5c4a425c
Sep 25, 2019
- Simplify template-handling in image_state · 36b8e450
  Gerardo Tauriello authored 5 years ago
  
  36b8e450
Sep 23, 2019
- always catch exceptions as reference · d8c2643c
  Studer Gabriel authored 5 years ago
  
  silences a compiler warning in gcc 8.3 and is a good idea anyway
  d8c2643c
Sep 03, 2019
- doc: add an example for MergePairwiseAlignments · efc89acb
  Xavier Robin authored 5 years ago
  
  Unverified
  
  efc89acb
Aug 28, 2019
- Document support of PIR sequence/alignment format · 36bae222
  Xavier Robin authored 5 years ago
  
  Unverified
  
  36bae222
- Add read-only or R/W information · 00276801
  Xavier Robin authored 5 years ago
  
  Unverified
  
  00276801
- Document parameters and return type for Sequence IO · c9413f13
  Xavier Robin authored 5 years ago
  
  Unverified
  
  c9413f13
- Document To and From String functions for Alignments and Sequences · 17fd343c
  Xavier Robin authored 5 years ago
  
  Unverified
  
  17fd343c
Aug 12, 2019
- Merge branch 'master' into develop · bec213b0
  Gerardo Tauriello authored 5 years ago
  
  bec213b0
- Merge branch 'release-1.10.0' · 1fb2a1e3
  Gerardo Tauriello authored 5 years ago
  
  View commits for tag 1.10.0 1.10.0
  
  1fb2a1e3
- Reduce width of molck usage code. · 3ca3e4d9
  Gerardo Tauriello authored 5 years ago
  
  3ca3e4d9
- SCHWED-3964: fix actions doc layout and examples. · ec7ca9da
  Gerardo Tauriello authored 5 years ago
  
  ec7ca9da
- Merge branch 'develop' into release-1.10.0 · 79edde36
  Gerardo Tauriello authored 5 years ago
  
  These are only updates to documentation.
  79edde36
- Updated doc and changelog. · 7395e2a2
  Gerardo Tauriello authored 5 years ago
  
  7395e2a2
- SCHWED-4355: Fixes for static compile · eb914a23
  Gerardo Tauriello authored 5 years ago
  
  Tested with Ubuntu 18.04 (in a vagrant box) following instructions in doc and adding cmake flags "-DENABLE_STATIC=ON -DENABLE_INFO=OFF". Tested resulting binaries "chemdict_tool" and "lddt" in Ubuntu-box and host-system (CentOS 7).
  eb914a23
- SCHWED-4354: Make compile version check more portable. · b86a52dd
  Gerardo Tauriello authored 5 years ago
  
  b86a52dd
- SCHWED-4354: Fix compile version check · 18e65888
  Gerardo Tauriello authored 5 years ago
  
  18e65888
Aug 05, 2019
- Reformatting bash code-blocks in the installation instructions. · 35a4fc84
  Bienchen authored 5 years ago
  
  35a4fc84
- Fixed docstring formating for Sphinx · c3394bf8
  Bienchen authored 5 years ago
  
  c3394bf8
Jul 10, 2019
- Update version to 1.10.0 · 9bf0ff3a
  Gerardo Tauriello authored 5 years ago
  
  View commits for tag 1.10.0-rc 1.10.0-rc
  
  9bf0ff3a
Jul 09, 2019
- SCHWED-4246: use quoted chain names in PDBize and qsscoring. · 4c316bf0
  Gerardo Tauriello authored 5 years ago
  
  4c316bf0
- SCHWED-4246: Documented mol.QueryQuoteName function. · ec09274b
  Gerardo Tauriello authored 5 years ago
  
  ec09274b
- SCHWED-4246: Add mol.QueryQuoteName function. · a3f3f3ab
  Gerardo Tauriello authored 5 years ago
  
  a3f3f3ab
Jul 04, 2019
- Clarify AddChain doc. · a58471ff
  Gerardo Tauriello authored 5 years ago
  
  a58471ff
- Extend PDBize unit test. · 4dbc8473
  Gerardo Tauriello authored 5 years ago
  
  4dbc8473
- SCHWED-4329: simplify script · 7b8e5cc2
  Gerardo Tauriello authored 5 years ago
  
  7b8e5cc2
- SCHWED-4329: cleanup imports · 3ef1ed0e
  Gerardo Tauriello authored 5 years ago
  
  3ef1ed0e
- SCHWED-4329: fix version bumping script. · d3358d50
  Gerardo Tauriello authored 5 years ago
  
  d3358d50
- SCHWED-4329: Stop overcomplicating Singularity recipe naming. · 35c3954a
  Gerardo Tauriello authored 5 years ago
  
  35c3954a