PyMDSetup

Python package to setup and run molecular dynamics simulations.

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Topics

Structure analysis Molecular dynamics

Collections

Details

Maturity:: Emerging
Cost:: Free of charge
Tool Type:: command-line tool, library, workflow
Operating Systems:: Linux
Programming Languages:: Python
Added:: 11/17/2017
Last Updated:: 12/10/2018

Operations

Molecular dynamics simulation

Documentation

General

https://github.com/bioexcel/pymdsetup/blob/master/README.md

API documentation

http://pymdsetup.readthedocs.io/en/latest/modules.html

Downloads

Source code
https://github.com/bioexcel/pymdsetup
Repository to download the library
VM image
https://www.dropbox.com/s/uxgcm4rkm554d28/PyMDSetup-v2.qcow2?dl=1
BioExcel_Embassy_VM
VM image
http://mmb.irbbarcelona.org/~andrio/PyMDSetup-v2.qcow2
BioExcel_Embassy_NFS_Image

Links

Repository

https://github.com/bioexcel/pymdsetup

(PyMDSetup github repo)

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