[Chimera-users] trying to process 1000 proteins via Chimera
pett at cgl.ucsf.edu
Wed Oct 21 15:59:39 PDT 2009
In addition there is a previous post on the chimera-dev list that is
specifically germane to your request:
Let me know if the info in that isn't enough for what you want to do.
UCSF Computer Graphics Lab
On Oct 21, 2009, at 10:07 AM, Elaine Meng wrote:
> Hi Jian,
> There is no "dock prep" command, but there are commands "addh" and
> Some other parts of Dock Prep can also be done with commands (for
> example "delete solvent"), but python scripting may be required for
> certain steps if you need them. I cannot advise on the python part,
> perhaps others can.
> For scripting to handle multiple structures, please see previous
> posts such as:
> I hope this helps,
> Elaine C. Meng, Ph.D.
> UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab
> Department of Pharmaceutical Chemistry
> University of California, San Francisco
> On Oct 20, 2009, at 5:51 PM, Bisn wrote:
>> We are Chimera users trying to process 1000 proteins, e.g., add
>> hydrogen and charge. We want to do this via a Chimera for DOCK
>> I know that Chimera accepts command line, but this is not realizable
>> for processing 10000 molecules. Have you any idea of the task?
>> Jian Chen
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the Chimera-users