Repository gromacs_modify_topology
Name: gromacs_modify_topology
Owner: chemteam
Synopsis: Wrappers for the topology editors: Adding New Topology Information
This is a set of python scripts and associated tool files that can be used to modify topology files, specially those generated outside of GROMACS, so that they are ready for molecular dynamics (MD) simulations and analyzing trajectories.
Content homepage: https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/buildtools/topologyeditors
Development repository: https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/buildtools/topologyeditors
Link to this repository: https://toolshed.g2.bx.psu.edu/view/chemteam/gromacs_modify_topology/5521a057ed6a
Clone this repository: hg clone https://toolshed.g2.bx.psu.edu/repos/chemteam/gromacs_modify_topology
Type: unrestricted
Revision: 0:5521a057ed6a
This revision can be installed: True
Times cloned / installed: 160

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
to a GROMACS topology file 0+galaxy0 20.09

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