Repository revision
repository tip
Select a revision to inspect and download versions of Galaxy utilities from this repository.

Repository biomd_neqgamma
Name: biomd_neqgamma
Owner: chemteam
Synopsis: Wrapper for the package: dcTMD friction correction
Tools for MD analysis developed by the Biomolecular Dynamics group (https://github.com/moldyn/) at the University of Freiburg, including dimensionality reduction, clustering, Langevin simulations and dcTMD
Content homepage: https://github.com/moldyn/
Development repository: https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/
Link to this repository: https://toolshed.g2.bx.psu.edu/view/chemteam/biomd_neqgamma/afcb925def69
Clone this repository: hg clone https://toolshed.g2.bx.psu.edu/repos/chemteam/biomd_neqgamma
Type: unrestricted
Revision: 1:afcb925def69
This revision can be installed: True
Times cloned / installed: 868

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
for calculating friction and free energy profiles from TMD ensembles 0.1.5.2+galaxy1 16.01

Categories
Molecular Dynamics - Tools for studying the physical movements of atoms and molecules
Computational chemistry - Tools for use in computational chemistry