Re: make psf error for ligand

From: Oscar Bastidas (
Date: Thu Aug 24 2017 - 13:26:58 CDT

I'm afraid I don't understand your question of me providing you a file, but
what I meant to say is that in your pdb file you need to change hisitidine
and isoleucine delta carbon namings to HSE and CD respectively. If you
have a peptide as part of the pdb file in addition to the A chain protein,
then you need to make sure that the peptide is labeled as a separate chain
(i.e. B chain). I hope this helps.

Oscar Bastidas, Ph.D.
Virginia Commonwealth University
Chemical and Life Science Engineering
On Aug 24, 2017 1:51 PM, "Nikhil Maroli" <> wrote:

> Hi,
> Could you please send me the file? I never saw this error? Your ligand
> contain peptides?

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