From: Enrico M. <jms...@gm...> - 2021-12-22 13:36:29
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Dear Pymol users! I am performing analysis of protein-ligand interactions for the ligand pose established in protein-docking and comparing it with the pattern observed in the X-ray structure for the same complex. Is it possible to use some Pymol command in the pymol's command line to save (in the text log) all of the non-bonded interactions established between ligand and all of the surrounded groups of the receptor for two different selections: (1) between the conformation used for docking and the best docking pose (2) between the X-ray structure + it's (native) ligand pose assuming that ((1): two different objects for receptor.pdb and the ensemble of docking conformations) and ((2): one object consisting of ligand and receptor together) are loaded in Pymol. Many thanks in advance! Cheers Enrico |