ADL: Prepare all parameters

snoze pa snoze.pa at gmail.com
Mon Jan 28 13:09:24 PST 2008


Mihaly,
 How about the flexible docking? does your script can take care of it.
Thanks in advance.
s

On Jan 26, 2008 9:49 PM, Mihaly Mezei <Mihaly.Mezei at mssm.edu> wrote:

> Hi,
>
> my script fullscreen.csh (http://inka.mssm.edu/~mezei/fullscreen<http://inka.mssm.edu/%7Emezei/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<http://inka.mssm.edu/%7Emezei>
>
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