[AMBER] exact values corresponding to the grid points in GIST calculations

From: Mohan Pradhan <pradhanmohan56.gmail.com>
Date: Sat, 9 Jan 2016 18:36:25 +0800

Dear Amber users,

I have performed the GIST calculations around the ligand binding site of a
protein. I am able to visualize the energetic/entropic values contoured on
the 3D grid in VMD/Chimera.

I now want to extract the exact values corresponding to the specific grid
points/boxes.Basically, how do I know which X, Y, Z coordinates (columns 2,
3, 4 in the grid-output.dat file) correspond to which grid points when I
visualize the structure with the contour map.

Please find attached an image file for the same question.

Many Thanks!

AMBER mailing list

(image/png attachment: energy_contour.PNG)

Received on Sat Jan 09 2016 - 03:00:03 PST
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