Adk44: Created page with "The plotGMINms function is a script to plot out ellipsoid.xyz files which are the output from GMIN when using the PY potential keyword or GenCoords when generating..."

2019-05-13T11:08:38Z

Created page with "The plotGMINms function is a script to plot out ellipsoid.xyz files which are the output from GMIN when using the PY potential keyword or GenCoords when generating..."

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The plotGMINms function is a script to plot out [[ellipsoid.xyz]] files which are the output from GMIN when using the [[PY]] potential keyword or [[GenCoords]] when generating pysites files.

To use the function bring up a TCL console via the Extensions menu -> Tk Console.

At the console load the plotGMINms.tcl script:

>Main< source ~/svn/SCRIPTS/visuals/plotGMINms.tcl

then initGMIN <filename>

where filename is the name of the file

then type plotGMINms sf1

Where sf is the scale factor. 1.0 is usually fine.

TO see the ellipsoids you have to click left or right in the vmd main window to force the system to redraw. You can turn off the default representation using the representation menu to hide whatever representation vmd comes with by default.

PlotGMINms.tcl - Revision history

Adk44: Created page with "The plotGMINms function is a script to plot out ellipsoid.xyz files which are the output from GMIN when using the PY potential keyword or GenCoords when generating..."