Mon., April. 13th 2009
EBI
On Sun, 12 Apr 2009, rui wrote:
> Hi, All
> I have dozens of complex structures ( protein + ligand ) and want to align
> the structures based on the ligand. Does anyone know such kind of program?
> Or if can get the information around the ligand site, that would be even
> better.
> Thanks.
>
> R
>
long time ago I used ProFit for exactly want you want, giving it only the
ligand atom list for the fitting, then looking for the different
protein environment. There is now a new version of the program.
http://www.bioinf.org.uk/software/profit/
Good luck
Miri
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Dr Miri Hirshberg
European Bioinformatics Institute UK
http://www.ebi.ac.uk
Phone: +44 (0) 1223 492647
FAX: +44 (0) 1223 494487
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