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A framework to code PyMOL plugins in Go using goChem.
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PyMOL plugins with goChem! A framework to develop PyMOL plugins using Gochem library. (https://www.github.com/rmera/gochem). A PyMOL plugin executes a Go/goChem program using JSON to communicates with it via stdin/stdout. The plugins currently implemented by us are the following: goQM: Given one or more selections and a method/program (see help in the plugin), will run DFT or semiempirical geometry optimization or single-point calculation on the selection/s given. It will cut selections (only sidechains or including backbone, as the user chooses) and saturate the cut bonds in a sensible way. the resulting Energy will be printed and the resulting geometry, if applicable, will be loaded ini PyMOL goRama: Given one or more PyMOL selections, it will produce Ramachandran plots. If several selections are given, it will assign a different color to each, if not, the colors will progress from red to violet following the aminoacidic sequence. ------------ There is no publication on goChem yet. If you use one of the plugins here, or any program based on goChem before such a publication is available, we ask you to support goChem by citing the library in your publication as: Mera-Adasme, R., Savasci, G., Pesonen, J. "goChem: A library for computational chemistry". https://www.github.com/rmera/gochem ------------ Note: The developers of goChem and the Go plugins for PyMOL are not associated with PyMOL in any way.