ADL: Prepare all parameters

Jack Shultz jackygrahamez at gmail.com
Sat Jan 26 19:54:59 PST 2008


Thanks, this might help...I just figured out how to combine the ligand and
receptor parts...
Jack

On Jan 26, 2008 10:49 PM, Mihaly Mezei <Mihaly.Mezei at mssm.edu> wrote:

> Hi,
>
> my script fullscreen.csh (http://inka.mssm.edu/~mezei/fullscreen does all
> of this, except for the prepare_receptor part - yo have to make tour pdbqs
> or pdbqt files beforehand.
>
> Also, you have to do some cursomization (paths, submit commands/scripts).
>
> Regards,
> Mihaly Mezei
>
> Department of Structural and Chemical Biology, Mount Sinai School of
> Medicine, NYU
> Voice:  (212) 659-5475   Fax: (212) 849-2456
> WWW (MSSM home): http://directory.mssm.edu/faculty/mihaly.mezei
> WWW (Lab home - software, publications): http://inka.mssm.edu/~mezei
>
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