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  1. Jul 30, 2019
  2. Jan 11, 2019
  3. Dec 14, 2018
  4. Jul 26, 2018
  5. May 11, 2017
  6. Nov 13, 2016
  7. Nov 12, 2016
  8. Oct 30, 2016
  9. Aug 27, 2016
  10. Jul 07, 2015
    • Gareth Tribello's avatar
      Fixed bug that breaks travis-ci · 9ab6f051
      Gareth Tribello authored
      I also fixed made the data collecting class is aware if we are calculating
      a distance.  If it knows that we are trying to calculate a distnace
      it returns something with which it can calculate a distance and not
      the position stored by COLLECT_FRAMES.  I am not sure this is necessary
      and if it will be ever used but I guess it is better to be safe than
      sorry
      9ab6f051
    • 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
  11. Jul 04, 2015
    • Gareth Tribello's avatar
      Changed the way data is passed to reference configurations in analysis · 18205331
      Gareth Tribello authored
      The data is now passed via a pdb object.  This means we can now use
      the same infractructure for setting up the ReferenceConfiguration as
      we use in setting up the ReferenceConfigurations in paths and so on.
      Projections meanwhile are attached to the ReferenceConfigurations
      when they are required for printing.  So now a reference configuration
      can be the pair of objects - i.e. the projections and the high dimensional
      configuration.
      18205331
  12. Jul 02, 2015
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