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 _______________________________________________ PyMOL-users mailing list Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net Unsubscribe: https://sourceforge.net/projects/pymol/lists/pymol-users/unsubscribe
