Commits · 1fb2a1e38db41ad5aaf067a83571e0eb73a13362 · schwede / openstructure

Aug 12, 2019
- 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
- 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
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 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
- Fix Python exception type. · 305d80dc
  Gerardo Tauriello authored 5 years ago
  
  305d80dc
Jul 02, 2019
- SCHWED-4327: Link to container recipes for current OST version. · da92836b
  Gerardo Tauriello authored 5 years ago
  
  da92836b
- SCHWED-3977: Marked macOS Mojave instructions. · 91a5c7e2
  Bienchen authored 5 years ago
  
  91a5c7e2
Jul 01, 2019
- Fixed writing of mmCIF. · 394deb54
  B13nch3n authored 5 years ago
  
  394deb54
- SCHWED-3977: Explain how to find Qt by CMake for macOS. · 85b351ce
  B13nch3n authored 5 years ago
  
  85b351ce
- SCHWED-3977: Env.var for building on macOS made futureproof. · 3f6ed1e4
  B13nch3n authored 5 years ago
  
  3f6ed1e4
- SCHWED-3977: More details for building on MacOS. · 428c1fdd
  B13nch3n authored 5 years ago
  
  428c1fdd
Jun 24, 2019
- SCHWED-3977: Updated macOS build instructions. · e9cdd2a8
  Bienchen authored 5 years ago
  
  e9cdd2a8
- Updated "MacOS X" strings to "macOS" · 66bc89f6
  Bienchen authored 5 years ago
  
  66bc89f6
Jun 19, 2019
- fix file open dialog · c27b9250
  Studer Gabriel authored 5 years ago
  
  c27b9250
Jun 18, 2019
- Fix lddt binary argument parsing for complib. · aba362c5
  Gerardo Tauriello authored 5 years ago
  
  aba362c5
Jun 17, 2019
- SCHWED-4108: fix some Real vs double complaints. · 39ab987e
  Gerardo Tauriello authored 5 years ago
  
  39ab987e
- Fix Boost version check. · 9eb3183b
  Gerardo Tauriello authored 5 years ago
  
  9eb3183b
- document functionality to access alternative atom groups in residue handles · 9b7c918d
  Studer Gabriel authored 5 years ago
  
  9b7c918d
Jun 14, 2019
- Fix Boost version check. · 4a227181
  Gerardo Tauriello authored 5 years ago
  
  4a227181
- Remove endian deprecation warning in recent Boost versions. · b9782771
  Gerardo Tauriello authored 5 years ago
  
  b9782771
- SCHWED-4108: make template instantiations C++11 compliant · e75d64c7
  Gerardo Tauriello authored 5 years ago
  
  e75d64c7
- Use malloc only in windows. · a71fb988
  Gerardo Tauriello authored 5 years ago
  
  a71fb988
- Link against specific sqlite3 library. · 3a4a1085
  Gerardo Tauriello authored 5 years ago
  
  3a4a1085
Jun 12, 2019
- Mark organizer dirty in SwitchAtomPos function · 93e1e866
  Studer Gabriel authored 5 years ago
  
  93e1e866
- Update Spatial organizer if necessary when doint a FindWithin · b502307e
  Studer Gabriel authored 5 years ago
  
  b502307e
- export GetAltAtomGroupNames function for ResidueHandle · 273def3e
  Studer Gabriel authored 5 years ago
  
  273def3e
Jun 03, 2019
- make it compile with GCC 9 · 3b9389fc
  Studer Gabriel authored 5 years ago
  
  3b9389fc
- lex token starting with underscore as string · 47d03b83
  Studer Gabriel authored 5 years ago
  
  The result are valid queries of chains with name '_'.
  47d03b83
May 31, 2019
- updated CAD score binding - format of result has changed, check doc for further details · 1dfd44ba
  Studer Gabriel authored 5 years ago
  
  1dfd44ba
May 29, 2019
- Get rid of sphinx.ext.pngmath and go for fanc mathjax rendering · ed4aa651
  Bienchen authored 5 years ago
  
  ed4aa651
- Small documentation improvement. · 201c66dd
  Bienchen authored 5 years ago
  
  201c66dd
May 27, 2019
- docu fix · 6e4a10de
  Studer Gabriel authored 5 years ago
  
  6e4a10de
- Delete residues/chains that don't contain atoms after molck cleanup by default · 43e0abc2
  Studer Gabriel authored 5 years ago
  
  43e0abc2