[Dock-fans] How do it continue computing from the break point

[Rashi Goyal]

Hi Aurum

In the dock input file you can specify the number of molecules that you want
to skip over in the beginning of the ligand database file.


skip_molecule               yes
#Skip some number of molecules at the beginning of a library
initial_skip                    1000
# (this will skip the first 1000 molecules of the ligand input file and
start screening from the 1001th molecule)


Regards,

Rashi Goyal

Graduate Student,
Rizzo Research Group
Stony Brook University
Stony Brook, NY 11794-3600
Office: 3-129 Math Tower
Phone: (631) 632-8519




On Thu, Apr 2, 2009 at 11:08 PM, li bai <javacfish at yahoo.com.cn> wrote:

> Hello everyone,
>
> When I do virtual screening by UCSF DOCK, but some exception happen, and
> the dock progress halt. I have screened half of the database, I do not want
> to repeat it.
>
>  How do I continue to screen the database from the break point?
>
> Thanks !
>
> Aurum
>
>
> _______________________________________________
> Dock-fans mailing list
> Dock-fans at docking.org
> http://blur.compbio.ucsf.edu/mailman/listinfo/dock-fans
>
>


--
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://blur.compbio.ucsf.edu/pipermail/dock-fans/attachments/20090402/16b5cf7c/attachment.html