Dear Amber users!
For better visualization of the MMGBSA outputs made for 10 ligands
agains 1 receptor-target I wonder to map per-residue decomposition
data from each of the systems onto the receptor's 3D structure.
Eventually I'd like to produce 10 cartoon diagrams which would differs
in the coloring according to the difference in the contribution of
residues from the receptor's cavity to binding for different ligands.
I will be very thankful if someone provide me with ideas of how such
visualization could be done using receptors structure, decomposition
logs as the inputs and/or pymol/ vmd.
Thanks!
James
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Received on Wed Apr 08 2015 - 10:00:06 PDT
