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Repository mdanalysis_extract_rmsd
Name: mdanalysis_extract_rmsd
Owner: chemteam
Synopsis: Wrapper for the MDAnalysis package: Extract RMSD distance matrix data
MDAnalysis (https://www.mdanalysis.org) is a Python toolkit to analyze molecular dynamics trajectories generated by a wide range of popular simulation packages including DL_Poly, CHARMM, Amber, NAMD, LAMMPS, and Gromacs. 
Content homepage: https://github.com/MDAnalysis/mdanalysis
Development repository: https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/
Link to this repository: https://toolshed.g2.bx.psu.edu/view/chemteam/mdanalysis_extract_rmsd/589f8ef21e58
Clone this repository: hg clone https://toolshed.g2.bx.psu.edu/repos/chemteam/mdanalysis_extract_rmsd
Type: unrestricted
Revision: 2:589f8ef21e58
This revision can be installed: True
Times cloned / installed: 249

Contents of this repository

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Name Description Version Minimum Galaxy Version
from MD ensemble with MDAnalysis 1.0.0+galaxy2 16.01

Categories
Computational chemistry - Tools for use in computational chemistry