Commits · master · rDock / rDock · GitLab

Jun 25, 2014
- changed ht_protocol_finder.pl to rbhtfinder, as in paper and manual · 9e6bbbed
  sruizcarmona authored Jun 25, 2014
  
  9e6bbbed
Jun 13, 2014
- changed src/exe/rbdock.cxx: an if statement has been moved to avoid... · 1f1f3b51
  sruizcarmona authored Jun 13, 2014
  1f1f3b51
May 05, 2014
- Fixed csh dependencies: removed buildnum.csh, releaseNotes.csh and removed the... · 14dc6bc8
  sruizcarmona authored May 05, 2014
  14dc6bc8
Mar 11, 2014
- Cleaned up not necessary files. Removed rodck_nb, gettext and popt from rDock... · cb27d1e0
  sruizcarmona authored Mar 11, 2014
  cb27d1e0
Jan 16, 2014
- sdrmsd fixed output sdf with molecules in same order as input · 7e69ea09
  d-alvarez authored Jan 16, 2014
  
  7e69ea09
Jan 14, 2014
- fixed sdmodify to print out help message · dc6deae1
  sruizcarmona authored Jan 14, 2014
  
  dc6deae1
Jan 07, 2014
- Modified sdrmsd to allow pose filtering by RMSD comparison with other poses and population count · 650f84ed
  d-alvarez authored Jan 07, 2014
  
  650f84ed
Dec 16, 2013
- Removed "using namespace std;" from src/GP/RbtGPFFSpike.cxx. It was not... · 32823e13
  d-alvarez authored Dec 16, 2013
  32823e13
- fixed headers from src/gp/ folder · bccb9a7e
  sruizcarmona authored Dec 16, 2013
  
  bccb9a7e
Dec 12, 2013
- Added error checking in sdtether and sdrmsd · a2c8f4e9
  d-alvarez authored Dec 12, 2013
  
  a2c8f4e9
Dec 05, 2013
- new sdtether and sdrmsd dani versions · 4edd6f45
  sruizcarmona authored Dec 05, 2013
  
  4edd6f45
- new sdtether and sdrmsd dani versions and prevented rbrmsd from compilation · af94caf8
  sruizcarmona authored Dec 05, 2013
  
  af94caf8
Dec 02, 2013
- fixed rbcalcgrid.cxx usage (deprecated -p options) · 01e4d49a
  sruizcarmona authored Dec 02, 2013
  
  01e4d49a
Nov 28, 2013
- commented all XB changes for atom-weighting. Unit test 55/55 ok now. · 05860ed6
  sruizcarmona authored Nov 28, 2013
  
  05860ed6
Nov 27, 2013
- removed files by distclean and old license · 65480cf8
  sruizcarmona authored Nov 27, 2013
  
  65480cf8
- updated all files for correct compilation in gcc 4 · 578030a7
  sruizcarmona authored Nov 27, 2013
  
  578030a7
Nov 26, 2013
- fixed sdrms file and changed name to sdrmsd · 5a410bc8
  sruizcarmona authored Nov 26, 2013
  
  5a410bc8
Nov 21, 2013
- Upload new python files: check test and sdrms/sdtether · 4ee24bf9
  sruizcarmona authored Nov 21, 2013
  
  4ee24bf9
- Upload new python files: check test and sdrms/sdtether · b1cdd7db
  sruizcarmona authored Nov 21, 2013
  
  b1cdd7db
Nov 20, 2013
- No commit message · 7b90542b
  sruizcarmona authored Nov 20, 2013
  7b90542b
Jul 01, 2012
- adding gettext and new doc · f80aa1db
  pschmidtke authored Jul 01, 2012
  
  f80aa1db
- license change · 062b61f3
  pschmidtke authored Jul 01, 2012
  
  062b61f3
Jun 10, 2012
- initial commit · 09694001
  pschmidtke authored Jun 10, 2012
  
  09694001