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  1. Mar 22, 2018
  2. Feb 27, 2018
  3. Jul 28, 2017
  4. Jun 23, 2016
  5. Mar 01, 2016
  6. Jul 01, 2015
  7. Jun 26, 2015
    • Studer Gabriel's avatar
      port openstructure dependency from Eigen2 to Eigen3 · 62921b7a
      Studer Gabriel authored
      changes:
      
      -GetPrincipalAxes in Vec3List
       Results with Eigen3 have been verified with 10 randomly picked pdb structures.
       Differences only occur with changing signs of the vectors.
      
      -CalcPrincipalAxis in BoundingBox
       No difference in algorithm, the SelfAdjointEigenSolver no lives in
       Eigenvalues. Does in principal the same thing as the function above,
       just using different functionality.
      
      -SVD superposer
       Unit tests still run through with the changes introduced for Eigen3
       and also manual testing seems to work well.
      
      -CartoonRenderer
       Principal axes calculation for rendering helices as cylinders had to be
       adapted. Rendering looks exactly the same...
      
      -SuperposeFrames
       Not yet tested...
      
      ToDo:
      numeric.h and levenberg_marquardt.h in the img/alg module have to be
      ported. This will be done in the next few days.
      62921b7a
  8. May 28, 2015
  9. May 05, 2015
  10. Nov 26, 2014
  11. Sep 15, 2014
  12. Oct 30, 2013
  13. Oct 27, 2013
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  15. Aug 23, 2013
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  17. Jun 07, 2013
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  19. May 08, 2013
  20. Mar 18, 2013
  21. Feb 22, 2013
  22. Feb 01, 2013
  23. Nov 27, 2012
  24. Nov 21, 2012
  25. Nov 15, 2012
  26. Nov 05, 2012
  27. Oct 26, 2012
  28. Oct 13, 2012
  29. Sep 13, 2012
  30. Sep 07, 2012
  31. Aug 06, 2012
  32. Aug 04, 2012
  33. Jul 26, 2012
    • Marco Biasini's avatar
      added RuleBasedConop · ae3c5c0d
      Marco Biasini authored
      RuleBased conop is an experimental new interface for processing
      structures in the conop module. The class exposes a single method
      Process with takes care of the complete conop procedure. There are
      still a few methods missing, they will be added shortly.
      ae3c5c0d
    • Ansgar Philippsen's avatar
      moved mol.Transform to geom · 968812a8
      Ansgar Philippsen authored
      The Transform class was moved from the mol module to the geom module. A typedef
      was put into the mol namespace in C++, and a similar alias was put into the
      mol python module, with an added deprecation warning.
      968812a8
  34. Jul 25, 2012
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