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Garnish Accurately Represents a Network of Interconnected Systems in a Heartbeat

GARNISH allows a coarse grained structure to be visualized in pymol like an atomistic structure by drawing bonds and elastic network.

Screenshot

Screenshot Lysozyme 2VB1 from left to right: crystal structure in cartoon representation, licorice representation with backbone bonds drawn, elastic network visualized using line representation.

Installation

pip install git+git://github.com/mjtadema/garnish.git#egg=garnish

To access the function, in PyMOL do import garnish.

Usage

garnish [file [, selection [, gmx]]]
  • file = a tpr or topology file to extract bond information from (default: None)
  • selection = any selection to act upon (default: all)
  • gmx = gmx executable path (default: inferred by which gmx)

Without a top/tpr file, this function only adds bonds between the backbone beads so they can be nicely visualized using line or stick representation. Adding a top/tpr file provides topology information that can be used to draw side chain and elastic bonds.

Examples

To nicely show your martini system in pymol:

garnish topol.top

About

Render coarse grained molecular structures in PyMOL

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MIT, Unknown licenses found

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  • Python 100.0%