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  1. Aug 18, 2016
  2. Jul 07, 2015
    • Gareth Tribello's avatar
      Added new functionality for output pdb in analysis · 61e9e629
      Gareth Tribello authored
      You can now use COLLECT_FRAMES to collect pdb data from the trajectory
      and output a pdb file that contains the underlying atomic coordinates
      in pdb format even if you are not using the rmsd distance to measure
      the dissimilarity matrix for dimensionality reduction.  Also fixed
      a number of bugs.
      61e9e629
  3. Jul 04, 2015
  4. Jul 03, 2015
  5. Jul 02, 2015
    • Gareth Tribello's avatar
      Added documentation for analysis tools · 1d0a9981
      Gareth Tribello authored
      1d0a9981
    • Gareth Tribello's avatar
      Rewrote analysis class · f8047308
      Gareth Tribello authored
      The old analysis class was reaching a stage where it was not fit
      for purpose.  This is thus a total redesign in order to allow us
      to write better algorithms for dimensionality reduction that are
      flexible and easy for users to use.  I have removed some functionality
      with this commit but I will re add it in subsequent commits
      Also added information on analysis classes to developer documentation
      f8047308
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