VMD-L Mailing List
From: Bennion, Brian (bennion1_at_llnl.gov)
Date: Fri Sep 13 2024 - 17:14:37 CDT
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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
- Next message: Harini S H: "FFTK charge optimisation: ORCA issue - cant use empty string as an operand of '*'"
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