Commits · d82d9332e32a79672bc9caed26478aa88907c2d1 · schwede / openstructure

Feb 22, 2018
- fix: SCHWED-3126 Successful compilation and pymod import · c7622c5e
  Rafal Gumienny authored 7 years ago
  
  c7622c5e
- fix: SCHWED-3126 General clean up - no dependancy of mol.alg on io · 841706dd
  Rafal Gumienny authored 7 years ago
  
  841706dd
Feb 21, 2018
- feat: SCHWED-3126 Implementation of basic Molck function · 6a018869
  Rafal Gumienny authored 7 years ago
  
  6a018869
- refactor: SCHWED-3126 Pull out functions out of molck main · 53b82b75
  Rafal Gumienny authored 7 years ago
  
  53b82b75
Jul 23, 2014

make molck ready for the mmcif format · f53e24eb

Studer Gabriel authored 10 years ago

When loading the structure, molck checks now for the file endings
.mmcif and .cif and invokes the corresponding reader. Everything
else is still expected to be in pdb format.

f53e24eb

Feb 04, 2013
- Fixed removal of terminal OXT oxygens when removing non-standard residues · 5a93d28d
  Valerio Mariani authored 12 years ago
  
  5a93d28d
- Fixed removal of terminal OXT oxygens when removing non-standard residues · 7678327c
  Valerio Mariani authored 12 years ago
  
  7678327c
Feb 01, 2013
- fixed endif in molck cmake list · ece8e377
  Andreas Schenk authored 12 years ago
  
  fixed return type for GetSolidColor in vertex_arrray.hh re-added accidentally deleted function declaration in chain_type.hh
  ece8e377
- exclude molck from compliling on windows · 00ecc717
  Andreas Schenk authored 12 years ago
  
  00ecc717
Nov 22, 2012
- fix compilation with boost 1.33.1 · 0f47e751
  Marco Biasini authored 12 years ago
  
  0f47e751
Aug 15, 2012
- Build config file for ArchLinux using the clang compiler · c3e4ce53
  Valerio Mariani authored 12 years ago
  
  c3e4ce53
Aug 04, 2012
- introduce processor classes · 7544e2f6
  Marco Biasini authored 12 years ago
  
  7544e2f6
Jul 14, 2012
- Fixes to usage string · 8fa92517
  Valerio Mariani authored 12 years ago
  
  8fa92517
Jul 13, 2012
- Added functionality to molck · 21591bf9
  Valerio Mariani authored 12 years ago
  
  Output in file. Choice of output path and filename. Cutom comp lib location.
  21591bf9
- set fault_tolerant=true as default in molck · d0a5590b
  Gabriel Studer authored 12 years ago
  
  d0a5590b
Jul 09, 2012
- Static compilation for molck · c4f865b7
  Valerio Mariani authored 12 years ago
  
  c4f865b7
Jul 05, 2012
- fix for boost 1.33 · e7ccfaef
  Marco Biasini authored 12 years ago
  
  e7ccfaef
- provide better usage description · 5129e91d
  Marco Biasini authored 12 years ago
  
  5129e91d
- move some code into a function · 7f7932ef
  Marco Biasini authored 12 years ago
  
  7f7932ef
- Use NSGetExecutablePath on MacOS X · 85b90ae9
  Marco Biasini authored 12 years ago
  
  85b90ae9
- Fix to allow molck compilation on login nodes · 4a80d0e9
  Valerio Mariani authored 12 years ago
  
  4a80d0e9
- Molck the molecule checker · 2446cab0
  Valerio Mariani authored 12 years ago
  
  Mainly Marco's work
  2446cab0