ADL: Docking inside recptor / Screening using Cygwin on a PC

Sargis Dallakyan sargis at scripps.edu
Tue Mar 11 16:52:13 PDT 2008


David Crosby wrote:
> 2)       I'm curious if anyone out there is screening virtual libraries
> using Windows XP and the Cygwin linux-like environment?  The tutorial at the
> Autodock homepage has great instructions in a UNIX native environment, but
> I'm hoping someone out there may have some helpful tips on translating that
> protocol into the Cygwin environment.  I'm primarily interested in screening
> the NCI's diversity set.

I have been working on a tool that should enable this.
http://pyrx.sourceforge.net

PyRx is in its infancy; the first pre-alpha release will be available in a 
couple of months.

Sargis


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