[Dock-fans] Input script for dock

[Philip Crawford]

If you have these all as individual files, you need to concatenate them into
a single, new .mol2 database file. Then Dock will handle it OK.

Cheers,

Phil
_____________________________________________
Philip Crawford B Comp Sc, MIEEE
Medicine Computer Support Unit
The University of NSW, Sydney, NSW, 2052
Phone: +61-2-9385 2564
Fax: +61-2-9385 1258
Email: p.crawford at unsw.edu.au
_____________________________________________

-----Original Message-----
From: dock-fans-bounces at docking.org [mailto:dock-fans-bounces at docking.org]
On Behalf Of John J. Irwin
Sent: Thursday, 13 March 2008 10:43 AM
To: snoze pa
Cc: dock-fans at docking.org
Subject: Re: [Dock-fans] Input script for dock

Hi -

DOCK expects to read multi-mol2 files, so I don't understand your question.

John


snoze pa wrote:
> Dear Dockers,
>  I have some thousands of molecules in mol2 format prepared from UCSF 
> Chimera. Is there any script that can be used to read these 
> molecules(one by one) in a docking experiment using DOCK.
> Thanks in advance
> s
> ------------------------------------------------------------------------
>
> _______________________________________________
> Dock-fans mailing list
> Dock-fans at docking.org
> http://blur.compbio.ucsf.edu/mailman/listinfo/dock-fans
>   
_______________________________________________
Dock-fans mailing list
Dock-fans at docking.org
http://blur.compbio.ucsf.edu/mailman/listinfo/dock-fans