You would have to edit the command script for PDBSET
(From GUI - Run and View com file, then modify it..)
There are options to select CHAIN A and protein only. etc etc
Eleanor
Antony Oliver wrote:
> You could simply hand-edit the PDB file to remove the offending ligand.
>
> Regards,
>
> Tony.
>
>
>
> Hi, all
>
> I want to write a specific chain structures(protein). I tried
> PDBSET and
> biopython but they couldn't deal with some exceptional case.
> For example, some pdb files contain both protein structure and ligand
> structure in a given chain ID(e.g. 'A' or ' ')
>
> How can I obtain full chain structures without ligand structure by
> other
> methods than clicking one by one at any website.
>
> Thanks in advance.
>
> Best,
> Hyunchul Kim
>
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