Commits · 6fa44c03df340418261ee3e82d9ac2fb2106c2da · schwede / openstructure

Feb 25, 2020
- make sure we're actually looking at a boolean comparison · 86dcab9c
  Studer Gabriel authored 5 years ago
  
  86dcab9c
Feb 24, 2020
- SCHWED-4633: Changed installation instructions towards Debian 10. · f5c0be2a
  Bienchen authored 5 years ago
  
  f5c0be2a
- Match the required CMake version to the one in CMakeLists.txt · 04003aa3
  Bienchen authored 5 years ago
  
  04003aa3
Feb 20, 2020
- Clarify doc for CopyResidue functions. · 58a9a88a
  Gerardo Tauriello authored 5 years ago
  
  58a9a88a
- SCHWED-4658: mol.alg.CopyResidue can deal with bad backbones now. · 02c266d7
  Gerardo Tauriello authored 5 years ago
  
  This is used in Molck's MapNonStandardResidues which used to fail if there were missing (or unmappable) backbone atoms in modified residues.
  02c266d7
- Fix molck usage text · f882c759
  Gerardo Tauriello authored 5 years ago
  
  f882c759
Feb 19, 2020
- SCHWED-4657: fix default MolckSettings in molck binary. · ab13e8d4
  Gerardo Tauriello authored 5 years ago
  
  ab13e8d4
- SCHWED-4634: Updated the CMake call for macOS · f22f3839
  Bienchen authored 5 years ago
  
  f22f3839
- SCHWED-4612: Switch for CMake to toggle GL implementation used by OpenGL · 2aad79ae
  Bienchen authored 5 years ago
  
  2aad79ae
- SCHWED-4612: silence a macOS specific warning about OpenGL deprecation. · 9cc1c326
  Bienchen authored 5 years ago
  
  9cc1c326
Feb 17, 2020
- Get rid of unused VAX conversion files. · f621e391
  Gerardo Tauriello authored 5 years ago
  
  Relevant VAX conversion code is in convert.cc.
  f621e391
- SCHWED-4649: Enforce new policy to get rid of -L in CMake calls · 90c9ad16
  Bienchen authored 5 years ago
  
  90c9ad16
Feb 13, 2020
- SCHWED-949: Updated tests for non-standard amino acids. · ad684fdb
  Gerardo Tauriello authored 5 years ago
  
  ad684fdb
- Fix doc typo · 90d766f8
  Gerardo Tauriello authored 5 years ago
  
  90d766f8
- Bum copyright to 2020 · aea78e77
  Bienchen authored 5 years ago
  
  aea78e77
- Bump copyright to 2020 · 33624e06
  Bienchen authored 5 years ago
  
  33624e06
Feb 12, 2020
- SCHWED-4612: Remove a message from HHblits bindings test. · 6218e8d3
  Bienchen authored 5 years ago
  
  6218e8d3
- SCHWED-4612: Get rid of some Numpy warnings, move from np.matrix to np.array. · f38cb6a8
  Bienchen authored 5 years ago
  
  f38cb6a8
Feb 11, 2020

SCHWED-4612: Get rid of some Numpy warnings, move from np.matrix to np.array,... · 37ab3562

Bienchen authored 5 years ago

SCHWED-4612: Get rid of some Numpy warnings, move from np.matrix to np.array, keeping the matrix variant as deprecated method.

37ab3562

Feb 10, 2020
- SCHWED-4612: Get rid of TMalign compiler warnings · b6c8152d
  Bienchen authored 5 years ago
  
  b6c8152d
- SCHWED-4382: Better logging for HHblits · c663c880
  Bienchen authored 5 years ago
  
  c663c880
- SCHWED-4612: Reduce Numpy compilation warnings · eb2a9384
  Bienchen authored 5 years ago
  
  eb2a9384
Feb 07, 2020
- slightly relax dcd io unit test · ff5e49cd
  Studer Gabriel authored 5 years ago
  
  The reason is that the check just scratches floating point accuracy and occasionally failed on some machines
  ff5e49cd
- remove openmm density plugin which has always been experimental and was never thoroughly tested · cb2f10d8
  Studer Gabriel authored 5 years ago
  
  cb2f10d8
- SCHWED-4612: Dealing with the NumPy deprecation compiler warning. · a1263ab7
  Bienchen authored 5 years ago
  
  a1263ab7
Feb 06, 2020
- SCHWED-4612: Ignore warning about unused functions by GCC, while the functions... · 910170ca
  Bienchen authored 5 years ago
  
  SCHWED-4612: Ignore warning about unused functions by GCC, while the functions are used by unit tests.
  910170ca
- SCHWED-4612: Fix warning on unused (static) function. · 4d1a5f68
  Bienchen authored 5 years ago
  
  4d1a5f68
- SCHWED-4612: Remove use of deprecated function. · 5b6da8c8
  Bienchen authored 5 years ago
  
  5b6da8c8
- SCHWED-4612: Get rid of '-Wmaybe-uninitialized' from Vec3 · d0796500
  Bienchen authored 5 years ago
  
  d0796500
Feb 05, 2020
- Try to force C++11 for older compilers. · 543a4e2c
  Gerardo Tauriello authored 5 years ago
  
  543a4e2c
Feb 03, 2020
- doc: fix indexing of ost.bindings · 1f2dae67
  Xavier Robin authored 5 years ago
  
  1f2dae67
Jan 29, 2020
- doc: document filtering of chains by qsscoring · dd7fe4f8
  Xavier Robin authored 5 years ago
  
  dd7fe4f8
Jan 17, 2020
- Replace all subprocess wait with run · 01eca901
  Andrew Waterhouse authored 5 years ago
  
  01eca901
- Subprocess wait in deadlock averted · 51225d1b
  Andrew Waterhouse authored 5 years ago
  
  51225d1b
Jan 07, 2020
- keep this as bytes Wrote abstract state sequence to · d5c9ab52
  Andrew Waterhouse authored 5 years ago
  
  d5c9ab52
Dec 30, 2019
- decode subprocess sout · 11d979fc
  Andrew Waterhouse authored 5 years ago
  
  11d979fc
- decode subprocess sout · 1a0f9f5b
  Andrew Waterhouse authored 5 years ago
  
  1a0f9f5b
Dec 20, 2019
- replace deprecated import · ba9dc507
  Studer Gabriel authored 5 years ago
  
  ba9dc507
Dec 18, 2019
- Decode output of Blast to return a string with outfmt=1. · fdc51c74
  Xavier Robin authored 5 years ago
  
  fdc51c74
Dec 17, 2019
- add note on Python 2 support in install instructions · 0d69b33c
  Studer Gabriel authored 5 years ago
  
  0d69b33c