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Support for other trajectory manipulation backends. #27

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blakeaw opened this issue Mar 12, 2018 · 0 comments
Open

Support for other trajectory manipulation backends. #27

blakeaw opened this issue Mar 12, 2018 · 0 comments
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enhancement Request or suggestion for an enhancement to current features or api. feature Request or suggestion for new feature. help wanted

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@blakeaw
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blakeaw commented Mar 12, 2018

Currently PyBILT uses MDAnalysis as the backend for trajectory processing. It might be a nice upgrade to detach PyBILT from specifically needing MDAnalysis and allow it to use other trajectory analysis tools as the backend. The primary ones I am thinking of are that might be nice options are:

  1. MDTraj http://mdtraj.org/1.9.0/
  2. VMD http://www.ks.uiuc.edu/Research/vmd/current/ug/node160.html
  3. pyLOOS http://loos.sourceforge.net/building.html#building_pyloos

Of the three listed above MDTraj would probably be the best to start with.
@blakeaw blakeaw added the enhancement Request or suggestion for an enhancement to current features or api. label Mar 12, 2018
@blakeaw blakeaw added the feature Request or suggestion for new feature. label Jul 31, 2019
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