ADL: virtual screening

Steve Darnell sdarnell at oncology.wisc.edu
Thu Jan 22 09:40:17 PST 2009


Bhargavi,

The setpath.csh script is looking for the programs unlimit, babel, 
python, adt, autodock3, and autogrid3, but they are not installed on 
your cygwin distribution.  I believe you'll only need adt, autodock, and 
autogrid installed to complete the virtual screening tutorial.  Also, 
since you want to use Autodock 4, you should use the setpath4.csh in the 
tutorial files.  Here are some links to help you with the installation 
of adt, autodock4, and autogrid4 in cygwin.

http://autodock.scripps.edu/faqs-help/faq/installing-autodock-on-windows
http://mgltools.scripps.edu/documentation/faq/autodocktools-under-cygwin

Regards,

Steve Darnell
University of Wisconsin-Madison
Madison, WI USA

bhargavi kondagari wrote:
> Dear All,
>
> *I am new user to Autodock 4 and virtual screening. I am facing a challenge
> in set environment for babel, python, adt, autogrid, etc..
>  When I type the command *
> *source scripts/setpath.csh*
> *the message given is under here*
>
> i686CYGWIN_NT-5.11
> unlimit: Command not found.
> babel: Command not found.
> python: Command not found.
> adt: Command not found.
> autodock3: Command not found.
> autogrid3: Command not found.
>
> Can anyone please help me in this regard.
>
> Regards
> ________________________________________________
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