ADL: Using Cygwin for Virtual Screening

Daniel Jana dfjana at gmail.com
Mon May 19 14:37:11 PDT 2008


Hello!

David Crosby wrote:
> Hello fellow autodockers, how are you all today?
>
> I know I've asked this question before a while back, but I'm curious if
> anyone knows if such an application is available yet; is there a way to
> conduct library screening using autodock4 and cygwin? Basically, conducting
> a virtual screen on the Windows platform? I'm not looking to cram though
> some enormous databank, but rather to have a desktop set aside to pile
> through about 50-100 hypothetical analog compounds I've been considering for
> synthesis.

Since you don't want a full time linux machine, wouldn't it be better to 
use some LiveCD distribution, say... Knoppix? Autodock+Cygwin is 
substantially slower than a real Linux. Not counting with the fact that 
you are already facing problems with it... With a Knoppix CD you will 
have the best of both worlds. You will have the speed of running 
Autodock natively in Linux, plus the added bonus of being able to do 
virtual screening without any problems and, as soon as you finish your 
work, you can go back to windows. You can also jump slowly into Linux 
this way...

Best regards,
Daniel


More information about the autodock mailing list