From: Bennion, Brian (bennion1_at_llnl.gov)
Date: Fri Sep 13 2024 - 17:14:37 CDT

Hello

Just curious if there are ways that vmd could retain various features of a ligand pdb file. Currently VMD reads in the file and replaces the HETATM with ATOM and renumbers the index and ignores conect records.

Maybe I am just trying to force vmd into a role that it is ill suited.

If so, any other recommendations beside incredibly tedious python/awk scripts that are not "pdb aware"

thank you
Brian bennion

Biosciences and Biotechnology Division|PLS|Lawrence Livermore National Laboratory|925-422-5722