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ligand dock residue selection

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ligand dock residue selection
#1

Is it posible to select specific residues (both sidechains and backbone) which will be modified during the procedure, leaving the rest of the protein structure unchanged? I'm thinking on something like the res file for the other applications.

Would skipping the protein prepacking with ligand_rpkmin help?

Thanks in advance.

Mon, 2009-08-03 07:54
Silice

> Is it posible to select specific residues (both sidechains and backbone) which will be modified during the procedure, leaving the rest of the protein structure unchanged? I'm thinking on something like the res file for the other applications.
>
> Would skipping the protein prepacking with ligand_rpkmin help?
>
> Thanks in advance.

OK, now I see I have posted in the wrong forum, since ligand dock is an application from rosetta 3.0 suite. I didn't realised there were two forums.

Wed, 2009-08-12 08:52
Silice