Commits · 464f579f48a367926b872ed500aeaa8bd2e8eee2 · schwede / openstructure · GitLab

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Dec 01, 2014
- added valgrind massif profiling option to ost_config · 464f579f
  Andreas Schenk authored 10 years ago
  
  464f579f
Nov 26, 2014
- Added domain_find from swiss model to ost. · 90d939f1
  BIOPZ-Johner Niklaus authored 10 years ago
  
  90d939f1
Oct 09, 2014
- testing for valid model index before creating new index in SceneWinModel · 1a227763
  Andreas Schenk authored 10 years ago
  
  1a227763
- fixed uninitialized value in BackboneTrace · 931e53e9
  andreas authored 10 years ago
  
  931e53e9
Oct 06, 2014
- fixed fft template instantiation for double precision compiles · a8d3a4ea
  Andreas Schenk authored 10 years ago
  
  a8d3a4ea
Oct 03, 2014
- fix for BOOST_JOIN parse error during moccing for boost 1.56 · 9e258955
  Andreas Schenk authored 10 years ago
  9e258955
Sep 30, 2014
- added read support for mrc files with mode 5 and 6 · bfd2962a
  Andreas Schenk authored 10 years ago
  
  bfd2962a
Sep 22, 2014
- spead tweak in mrc io real_dumper · af30c699
  Andreas Schenk authored 10 years ago
  
  af30c699
Sep 19, 2014
- added buffer to optimize mrc output · a733e379
  Andreas Schenk authored 10 years ago
  
  a733e379
- added 8bit and 16bit integer export to mrc and ccp4 io · 6a2c8f3c
  andreas authored 10 years ago
  
  6a2c8f3c
Sep 17, 2014
- extended CopyyDependencies.cmake to pack in site-packages in PYTHONPATH · 4054ddc4
  Andreas Schenk authored 10 years ago
  
  4054ddc4
Sep 02, 2014
- Fix to pass unit cell information when merging several CoorGroup · 88745d47
  BIOPZ-Johner Niklaus authored 10 years ago
  
  88745d47
Sep 01, 2014
- Added additional argument and flag in the RMSD_Matrix_From_Traj function · 4728655d
  Niklaus Johner authored 10 years ago
  4728655d
Aug 13, 2014
- Some cleaning in the helix_kink functions · 7032dc33
  BIOPZ-Johner Niklaus authored 10 years ago
  
  7032dc33
- Replaced the trajectory widget by a more fancy version · ee1fddd4
  niklaus johner authored 10 years ago and BIOPZ-Johner Niklaus committed 10 years ago
  
  ee1fddd4
- Added a module for H-bond calculations · 3fa22cdd
  niklaus johner authored 10 years ago and BIOPZ-Johner Niklaus committed 10 years ago
  3fa22cdd
Aug 08, 2014
- some more include rearangements for boost/python · 0fde0519
  Andreas Schenk authored 10 years ago
  
  0fde0519
- added some explicit template instantiations needed for Intel compiler · f276f8e1
  Andreas Schenk authored 10 years ago
  
  f276f8e1
- additional fix for the image state visitor adapter templates · 31f2863e
  Andreas Schenk authored 10 years ago
  
  31f2863e
- fixed image state ctor adapter template for 10 template parameters · 5a4c46ac
  Andreas Schenk authored 10 years ago
  
  5a4c46ac
Aug 07, 2014
- reordered includes to ensure that boost/python.hpp is included before system headers · daa08742
  Andreas Schenk authored 10 years ago
  
  daa08742
Jul 23, 2014
- make molck ready for the mmcif format · f53e24eb
  Studer Gabriel authored 10 years ago
  f53e24eb
May 17, 2014
- Merge branch 'develop' of bc2-dng01.bc2.unibas.ch:/opt/git/GIT_DATA/ost into develop · 162a14ac
  BIOPZ-Bertoni Martino authored 10 years ago
  
  162a14ac
- fixed iAlign binding · 753d4ebb
  BIOPZ-Bertoni Martino authored 10 years ago
  
  753d4ebb
May 02, 2014
- Corrected typo in CalculateDistanceDifferenceMatrix · b7724e35
  Niklaus Johner authored 11 years ago
  
  b7724e35
- Improved function description. · 53e3c444
  Niklaus Johner authored 11 years ago
  
  53e3c444
- Use bonds in entity to correctly group the atoms in a residue when wrapping in periodic cell. · 1fbbb52d
  Niklaus Johner authored 11 years ago
  
  1fbbb52d
- Added export for SignedAngle between two Vec3. · b45e2834
  Niklaus Johner authored 11 years ago
  
  b45e2834
- Corrected typo in CalculateDistanceDifferenceMatrix. · cc45a97d
  Niklaus Johner authored 11 years ago
  
  cc45a97d
- Added a function for iterative superposition of trajectories. · e82f8f2c
  Niklaus Johner authored 11 years ago
  e82f8f2c
- Speed up for the AvereageDistanceMatrixFromTraj function · de3ba37a
  Niklaus Johner authored 11 years ago
  
  de3ba37a
- Added function to calculate distance fluctuation matrix · 58f6e703
  Niklaus Johner authored 11 years ago
  
  58f6e703
- Fixed cexport for CoordFrame::FitCylinder · a6bc73d4
  Niklaus Johner authored 11 years ago
  
  a6bc73d4
Mar 31, 2014
- fix for header quards in strategies_fw.hh and alg_transform.hh · 3b43337a
  Andreas Schenk authored 11 years ago
  3b43337a
Mar 13, 2014
- changed Polygon::Erase to make it working in C++11 · 23c1de79
  Andreas Schenk authored 11 years ago
  
  23c1de79
Mar 10, 2014
- added min max caclulation to stat_acuumulator · b1e7f06c
  Andreas Schenk authored 11 years ago
  
  b1e7f06c
Jan 28, 2014
- skip initialization of moment array in stat accumulator for MAX_MOMENT=0 · 283438ee
  Andreas Schenk authored 11 years ago
  
  283438ee
Jan 24, 2014
- extended CopyDependencies script to better handle 64bit python installations · 7aa19107
  Andreas Schenk authored 11 years ago
  
  7aa19107
- disable boost internal cmake use, as it clashes with ost cmake setup · d7ca1e32
  Andreas Schenk authored 11 years ago
  
  d7ca1e32
- to find eigen also look in eigen3 dirs · 03668e96
  Andreas Schenk authored 11 years ago
  
  03668e96