mglagolev / mouse

Molecular Ordering Utility Scripting Environment. A collection of tools for processing the molecular dynamics simulation data. The toolkit focuses on various parameters of local ordering and spatial properties of local helical structure: units per turn, pitch and tube radius. The toolkit also includes a reverse mapping algorithm for A-graft-B model of polylactic acid.

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Molecular Ordering Utility Scripting Environment. A collection of tools for processing the molecular dynamics simulation data. The toolkit focuses on various parameters of local ordering and spatial properties of local helical structure: units per turn, pitch and tube radius. The toolkit also includes a reverse mapping algorithm for A-graft-B model of polylactic acid.

License:GNU General Public License v3.0


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Language:Python 100.0%