From: Joel S. <mjs...@al...> - 2024-07-16 13:09:19
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Hello Pymol Community, I hope you're well:). Towards the above-topic, my trajectory files .inp File´s water coordinates need to be flipped to the other side of the ligand C5´s interaction-site to preclude inappropriate interactions with the adjacent C-atom and to moreover bring the final .xyz trajectory file distance to less than 5.0 A (see screenshots attached labeled .inp and .xyz, first and last coordinates of the trajectory file, dashed lines exhibit water H-bonds to C5). How would I flip these Cartesian Coordinates to the other side of C5? Thanks if you know:), Joel 🚀 |