On 15/07/2023 03:49, Subramanian, Ramaswamy wrote:
I have over 50 pdb files that I have downloaded from PDB that all have
the same ligand bound.
I wamt to superpose the ligands (and move the protein coordinates
using that matrix). The goal is for me to see how difference in
ligand environments in different complexes.
Is there an easy way to do it? I am sure it has been done before and
I do not want to reinvent the wheel.
A script of some sort - that'll help.
Does the ligand have the same chain-id and residue number in all the PDB
files?
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