Repository openduck_run_smd
Name: openduck_run_smd
Owner: bgruening
Synopsis: Run OpenDUck tool from OpenDUck
OpenDUck, an open-source implementation of the original DUck method, using OpenMM and AmberTools
Content homepage: https://github.com/xchem/duck
Development repository: https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openduck
Link to this repository: https://toolshed.g2.bx.psu.edu/view/bgruening/openduck_run_smd/05c95b16823b
Clone this repository: hg clone https://toolshed.g2.bx.psu.edu/repos/bgruening/openduck_run_smd
Type: unrestricted
Revision: 0:05c95b16823b
This revision can be installed: True
Times cloned / installed: 237

Contents of this repository

Valid tools - click the name to preview the tool and use the pop-up menu to inspect all metadata
Name Description Version Minimum Galaxy Version
steered molecular dynamics runs 0.1.1 16.01

Categories
Computational chemistry - Tools for use in computational chemistry