MDAnalysis 0.7.7 / 0.8.0 RC 4

Framework to analyze molecular dynamics trajectories

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What's new in MDAnalysis 0.8.0 RC 4:

  • entries are sorted newest-first.
  • summarize sets of changes - don't reproduce every subversion log comment here.
  • don't ever delete anything.
  • keep the format consistent (79 char width, M/D/Y date format) and do not use tabs but use spaces for formatting
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LICENSE TYPE:
GPL 
FILE SIZE:
3.3 MB
USER RATING:
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DEVELOPED BY:
MDAnalysis Team
CATEGORY:
Home \ Developer Tools
MDAnalysis is a free and open source Python framework built to analyze molecular dynamics trajectories generated by Charmm, NAMD, or LAMMPS.

MDAnalysis allows one to read molecular dynamics trajectories and access the atomic coordinates through numpy arrays. This provides an extremely flexible and relatively fast framework for complex analysis tasks.

In addition, Charmm-style atom selection commands are implemented. Trajectories can also be manipulated (for instance, fit to a reference structure) and written out.

Detailed instructions on how to install and use the MDAnalysis utility on your Mac are available HERE.

Last updated on January 6th, 2014

Runs on: Mac OS X (-)

requirements

#analyze trajectory #trajectory analysis #scientific development #analyze #analyze #develop #develop

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