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!
Mohan
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(image/png attachment: energy_contour.PNG)
