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Repository packmol
Name: packmol
Owner: chemteam
Synopsis: PACKMOL is a package for creating starting structures for Molecular Dynamics simulations
"PACKMOL creates an initial point for molecular dynamics simulations by packing molecules in defined regions of space. The packing guarantees that short range repulsive interactions do not disrupt the simulations.
The great variety of types of spatial constraints that can be attributed to the molecules, or atoms within the molecules, makes it easy to create ordered systems, such as lamellar, spherical or tubular lipid layers.
The user must provide only the coordinates of one molecule of each type, the number of molecules of each type and the spatial constraints that each type of molecule must satisfy."
Type: unrestricted
Revision: 2:539fb45630e6
This revision can be installed: True
Times cloned / installed: 342

Contents of this repository

Name Description Version Minimum Galaxy Version
- initial configurations for molecular dynamics simulations by packing optimization 18.169.1 16.01

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