Commits · 0a49556bba1e804d159e23a0d173f87388ebd28d · schwede / openstructure

Feb 03, 2011
- read sdf files with minimalistic bond definitions (e.g. from rdkit) · 029d1fe7
  Tobias Schmidt authored 14 years ago
  
  029d1fe7
Jan 14, 2011
- fix BZDNG-200 (SDF writer now handles selections correctly) · f45cbdda
  Tobias Schmidt authored 14 years ago
  
  f45cbdda
- sdf reader complains if file cannot be opened · b5ddb1e5
  Tobias Schmidt authored 14 years ago
  
  b5ddb1e5
- fixed BZDNG-183 · eae985e2
  Marco Biasini authored 14 years ago
  
  eae985e2
Jan 10, 2011
- fix chainname bug in SDF writer · 5c031c57
  Tobias Schmidt authored 14 years ago
  
  5c031c57
Dec 30, 2010
- implement support for IO profiles · cb477231
  Marco Biasini authored 14 years ago
  
  cb477231
Dec 09, 2010
- fixed fog; tweaks to mae IO · 467d3aa7
  Ansgar Philippsen authored 14 years ago
  
  467d3aa7
Dec 01, 2010
- tweaks to gfx trace connectivity; fixed dcd loader error message · 7951fac5
  Ansgar Philippsen authored 14 years ago
  
  7951fac5
Nov 18, 2010
- Support for reading/writing extended CRD format · dec6518c
  Wojciech Wojtas-Niziurski authored 14 years ago
  dec6518c
Nov 15, 2010
- slightly change behaviour of CALPHA_ONLY import · 2ad240c7
  Marco Biasini authored 14 years ago
  
  2ad240c7
Nov 11, 2010
- re-added spider import for 2D files · 587fe31d
  Andreas Schenk authored 14 years ago
  
  587fe31d
Nov 05, 2010
- fix for BZDNG-177 · 635e9942
  Marco Biasini authored 14 years ago
  
  635e9942
- fix pdb output for alt atom locations · af317c1a
  Marco Biasini authored 14 years ago
  
  af317c1a
- correctly write TER when chain name is empty string · 322f0c66
  Marco Biasini authored 14 years ago
  
  322f0c66
Nov 03, 2010
- Removed debugging output · fca3e2fe
  Valerio Mariani authored 14 years ago
  
  fca3e2fe
Nov 02, 2010
- don't try to write b-factor values that are larger than 999.99 · a2a884d0
  Marco Biasini authored 14 years ago
  
  a2a884d0
Oct 31, 2010
- support for HET records in PDB files · 0e43c7a1
  Marco Biasini authored 14 years ago
  
  0e43c7a1
Oct 30, 2010
- rename Request(ICS|XCS)Editor to Edit(ICS|XCS) · 4e3a84e7
  Marco Biasini authored 14 years ago
  4e3a84e7
Oct 20, 2010
- treat UNL properly · 943eed94
  Marco Biasini authored 14 years ago
  
  943eed94
- reduce memory consumption of atom properties · a0970ace
  Marco Biasini authored 14 years ago
  a0970ace
Oct 15, 2010
- also read element column in charmm pdb import mode · e939008d
  Marco Biasini authored 14 years ago
  
  e939008d
- SaveCHARMMTraj saves the PDB files in CHARMM format · 7101ae69
  Marco Biasini authored 14 years ago
  
  7101ae69
Oct 13, 2010
- Ost script update/exported GetVerbosityLevel · 00aeb34d
  Valerio Mariani authored 14 years ago
  00aeb34d
Oct 12, 2010
- added on-demand loader for CHARMM trajectory data · 44e1ff4c
  Marco Biasini authored 14 years ago
  44e1ff4c
Oct 04, 2010
- in fault_tolerant mode, continue parsing when atom number is wrong · b34a477e
  Marco Biasini authored 14 years ago
  
  View commits for tag 1.0.1 1.0.1
  
  b34a477e
- add ILE.CD as an alternative name for ILE.CD1 · e89c1f9b
  Marco Biasini authored 14 years ago
  
  e89c1f9b
Sep 22, 2010
- fixed DLLEXPORT for chemdict_parser · d59bea9a
  andreas authored 14 years ago
  d59bea9a
Sep 21, 2010
- moved chemdict parser from conop to io to avoid circular dependency · 010128ec
  marco authored 14 years ago
  010128ec
- fix BZDNG-156 · c8c57dd9
  marco authored 14 years ago
  c8c57dd9
- implemented better support for CHARMM-style PDB files · daba938f
  marco authored 14 years ago
  daba938f
- updated logging system · 33538017
  marco authored 14 years ago
  33538017
Sep 06, 2010
- support reading of PDB files whose ATOM records end after column 54 · f13c7aa0
  marco authored 14 years ago
  f13c7aa0
Aug 19, 2010
- cleanup of map io format ctors · b3cb29dc
  andreas authored 14 years ago
  b3cb29dc
- make fasta parser more robust by skipping whitespace characters · 4692855d
  marco authored 14 years ago
  4692855d
- added import of PIR files · 4ac959df
  marco authored 14 years ago
  4ac959df
Aug 18, 2010
- extended dat io handler to accept different bit depths · 608181a4
  andreas authored 14 years ago
  608181a4
Aug 12, 2010
- DCD io: increased max number of atoms; implemented stride option (thanks marco) · 71cd5abc
  tobias authored 14 years ago
  71cd5abc
Aug 11, 2010
- improve writing of TER records · 86cfc86d
  marco authored 14 years ago
  86cfc86d
Jul 12, 2010
- move small vector/matrix functions to header file · 88654d76
  marco authored 15 years ago
  88654d76
Jul 06, 2010
- properly consume empty lines · cc16529a
  marco authored 15 years ago
  cc16529a