Finally! I've been very eager to get autodock files into Jmol. Hooray! Send
me files, tell me what they are. I'm sure David Goodsell and Art Olson
would be more than happy to help us out on this one. Just haven't had the
time to get into this.
Bob
On Tue, Sep 4, 2012 at 9:23 AM, Brian Moldover <[email protected]>wrote:
> I’m working on a web interface for viewing the results of docking using
> AutoDock and AutoDock Vina. It looks like FirstGlance or Jmol Protein
> Explorer will provide good starting points, but there are a few questions.
> ****
>
> ** **
>
> The results of docking are .pdbqt files which Jmol doesn’t support. I’ve
> written a script that parses the file and the receptor and writes each of
> the pose/receptor pairs into separate PDB files. Ideally I’d like to be
> able to avoid this step but I’m not sure how I could load the receptor into
> Jmol, then load a file containing multiple poses, then scroll through each
> pose. For those of you that are familiar, Autodock Tools does this fairly
> well but it is a standalone application. ****
>
> ** **
>
> If there is anyone out there who is using Jmol for looking at docking
> results, I’d like to hear how you’re approaching this. Thanks!****
>
> ** **
>
> -Brian ****
>
> ** **
>
> ** **
>
> ** **
>
>
> ------------------------------------------------------------------------------
> Live Security Virtual Conference
> Exclusive live event will cover all the ways today's security and
> threat landscape has changed and how IT managers can respond. Discussions
> will include endpoint security, mobile security and the latest in malware
> threats. http://www.accelacomm.com/jaw/sfrnl04242012/114/50122263/
> _______________________________________________
> Jmol-users mailing list
> [email protected]
> https://lists.sourceforge.net/lists/listinfo/jmol-users
>
>
--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
Chair, Chemistry Department
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
------------------------------------------------------------------------------
Live Security Virtual Conference
Exclusive live event will cover all the ways today's security and
threat landscape has changed and how IT managers can respond. Discussions
will include endpoint security, mobile security and the latest in malware
threats. http://www.accelacomm.com/jaw/sfrnl04242012/114/50122263/
_______________________________________________
Jmol-users mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/jmol-users
