molPX: Molecular Projection Explorer
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  • molpx.visualize
  • molpx.generate
  • Example Jupyter Notebooks
    • Quick Intro with DiAla
      • molPX Di-Ala example
      • Repeat from memory
      • The mpx_wdg_box
    • molPX and PyEMMA
    • molPX and TICA with BPTI
    • molPX and TICA with DiAla
    • molPX and Metadynamics with DiAla
  • About & YouTube Introduction
  • Installation Guide
  • Changelog
molPX: Molecular Projection Explorer
  • Docs »
  • Example Jupyter Notebooks »
  • Quick Intro with DiAla
  • Edit on GitHub

Quick Intro with DiAlaΒΆ

  • molPX Di-Ala example
    • Start from files on disk
    • Visualize a FES and the molecular structures behind it
    • Visualize trajectories and molecular structures (and the FES, optionally)
  • Repeat from memory
  • The mpx_wdg_box
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© Copyright 2017, Guillermo Perez-Hernandez Revision 3c886652.

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