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Dear Aditi,
I may be misinformed, but I think arp/warp includes a ligand fitting/search
module. You could check the arp/warp module in ccp4i.
Best,
Tim
On Monday, November 16, 2015 11:45:00 AM Aditi Deshpande wrote:
> Hello,
> I have an unknown electron density (the size of a small molecule ligand) in
> the active site of my protein. I would like to use the 'ligand
> identification' program in phenix which tries to fit about 180 most
> commonly observed ligands in protein structures. Is there a way to specifiy
> in the program GUI the location of the unknown density to be considred for
> this fit? I tried using this program before, but it tries fitting to an
> unknown density in a different location in th protein structure.
> Thanks,
> Aditi
- --
- --
Paul Scherrer Institut
Tim Gruene
- - persoenlich -
OFLC/102
CH-5232 Villigen PSI
phone: +41 (0)56 310 5754
GPG Key ID = A46BEE1A
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