Thanks Dac. Your suggestion worked perfectly.
On Thu, 3 Feb 2022 at 11:31 PM, David A Case <david.case.rutgers.edu> wrote:
> On Thu, Feb 03, 2022, Rakesh Srivastava wrote:
>
> >When I run 3drism calculation it gives following error:
> >addstrand: strand A already in mol
>
> First, can you say exactly what you did to "run 3drism calculation"?
>
> The "strand ID" is the same as what is usually called the "chain ID" in PDB
> parlance. I'm guessing(!) that you are using a PDB file that has uses the
> same chainID ("A") for different chains (aka strands). If so, you just
> need
> to make your chainID's unique. (ChainIDs are in column 22 in a PDB file,
> and a new chain is initiated when a new ChainID is found, or when a TER
> card
> is encountered.)
>
> If my guess is wrong, we need more information: what commands you used,
> and any input PDB files that might be input.
>
> ...thx...dac
>
>
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--
*Rakesh Srivastava*
Postdoctoral Fellow
Center for Computational Natural Sciences and Bioinformatics (CCNSB)
International Institute of Information Technology, Hyderabad
India
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Received on Sat Feb 05 2022 - 09:30:02 PST
