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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."
Content homepage: http://m3g.iqm.unicamp.br/packmol/home.shtml
Development repository: https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem
Link to this repository revision: https://toolshed.g2.bx.psu.edu/view/chemteam/packmol/ddb1ae2cf028
Clone this repository: hg clone https://toolshed.g2.bx.psu.edu/repos/chemteam/packmol
Type: unrestricted
Revision: 1:ddb1ae2cf028
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Contents of this repository

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Name Description Version Minimum Galaxy Version
Initial configurations for Molecular Dynamics simulations by packing optimization 18.169 16.01

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