Commits · 90d939f10ceae87964cbb83b0156b015c0d3aad9 · schwede / openstructure · GitLab

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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
  
  patch by Mark Livingstone
  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
  
  to allow for alignment and RMSD calulation from different EntityViews
  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
  
  The module is a flexible reimplementation of the HBPlus software. It allows to work on structures and on trajectories.
  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

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

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 10 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
  
  This function optimises the selection used for the superposition by keeping only the atoms with an rmsf smaller than the threshold.
  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
  
  patch submitted by Mark Livingstone
  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
Jan 22, 2014
- refactored stat_accumulator to handle weighted values and arbitrary order moments · 7e3744b6
  Andreas Schenk authored 11 years ago
  
  7e3744b6