Commits · b7724e35b8c580825b97b04b2b51ed963730d79a · schwede / openstructure · GitLab

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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
Jan 22, 2014
- refactored stat_accumulator to handle weighted values and arbitrary order moments · 7e3744b6
  Andreas Schenk authored 11 years ago
  
  7e3744b6
Dec 06, 2013
- added PHOTOMETRIC tiff tag to tiff export · 889a9f16
  Andreas Schenk authored 11 years ago
  
  889a9f16
Nov 15, 2013
- fixed string to vec converter for info module · be36b183
  Andreas Schenk authored 11 years ago
  
  be36b183
Nov 11, 2013
- Added wrapper function for the export of the Vec3List::FitCylinder function · 785299a8
  Niklaus Johner authored 11 years ago
  
  785299a8
- Merge branch 'develop' of bc2-dng01.bc2.unibas.ch:/opt/git/GIT_DATA/ost into develop · db8e46f1
  BIOPZ-Bertoni Martino authored 11 years ago
  
  db8e46f1
- corrected _ParseMmAlign. was initializing MMAlignResult in with misordered params · e3b63b5b
  BIOPZ-Bertoni Martino authored 11 years ago
  
  e3b63b5b
- add delete bond functionality to editors · 99b3fb88
  Gabriel Studer authored 11 years ago
  
  99b3fb88
Nov 08, 2013
- Merge branch 'develop' of bc2-dng01.bc2.unibas.ch:/opt/git/GIT_DATA/ost into develop · d3bfb360
  BIOPZ-Bertoni Martino authored 11 years ago
  
  d3bfb360
- and here come the SemiGlobalAlign documentation · 0aba0e80
  BIOPZ-Bertoni Martino authored 11 years ago
  
  0aba0e80
- changed dependency resolution for OSX package generation to find Frameworks in · 0ba9c064
  Andreas Schenk authored 11 years ago
  0ba9c064
- added a semiglobal alignment. equal to global alignment but without · 23a01b0b
  BIOPZ-Bertoni Martino authored 11 years ago
  23a01b0b
Nov 07, 2013
- fix for OSX rpath removal during package generation · 7d03a05a
  Andreas Schenk authored 11 years ago
  
  7d03a05a
- added better search paths for libs and qt_menu.nib in CopyDependencies · 942231c3
  Andreas Schenk authored 11 years ago
  
  942231c3
Nov 05, 2013
- removed ost::PairToTupleConverter from export_vec3.cc as it creates cyclical... · 30b34460
  Andreas Schenk authored 11 years ago
  30b34460
Nov 04, 2013
- Modified the Vec3List::FitCylinder function to also return the radius · 7cdd4390
  Niklaus Johner authored 11 years ago
  7cdd4390
- In the PariwiseDistanceMatrix function, added support for passing · ae76d04e
  Niklaus Johner authored 11 years ago
  ae76d04e
- Added support for unit cell size and angles in the CoordGroup::Filter function · b5cbaa22
  Niklaus Johner authored 11 years ago
  
  b5cbaa22
- Added function to extract the matrix of pairwise distances · 7ef92de5
  Niklaus Johner authored 11 years ago
  7ef92de5
- Added FloatMatrix as a vector of FloatList · 7575d2f5
  Niklaus Johner authored 11 years ago
  
  7575d2f5
- Added support for non-orthogonal cells for the WrapEntityInPeriodicCell function. · 9060e0fc
  Niklaus Johner authored 11 years ago
  
  9060e0fc
- Added Function to Wrap a Vec3 and Vec3List in a non-orthogonal unit cell · 211af9d1
  Niklaus Johner authored 11 years ago
  
  211af9d1
- Rename basis_vec to ucell_size in the geom functions using Periodic boundary conditions · 1324cba2
  Niklaus Johner authored 11 years ago
  1324cba2
- Added function to retrieve unit cell vectors from CoordFrame. · d419feee
  Niklaus Johner authored 11 years ago
  d419feee
Oct 31, 2013
- unit test fix for Windows · 4d43f28b
  Andreas Schenk authored 11 years ago
  
  4d43f28b