VMD-L Mailing List
From: John Stone (johns_at_ks.uiuc.edu)
Date: Mon Dec 19 2011 - 17:29:30 CST
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Hi,
VMD doesn't have a plugin for reading Autodock PDBQT files,
but judging from the file format description here, it probably wouldn't
be too difficult to make a modified version of the VMD PDB plugin that
reads them:
http://autodock.scripps.edu/faqs-help/faq/what-is-the-format-of-a-pdbqt-file
At the very least, you could use grep to remove the "ROOT" and "ENDROOT" lines
and then tell VMD to read it as a PDB file and see if that works.
Cheers,
John Stone
vmd_at_ks.uiuc.edu
On Fri, Dec 16, 2011 at 06:39:32AM +0000, Phuong Nguyen wrote:
> Dear Prof John Stone,
>
> After docking in Autodock Vina, I got the file result in type .pdbqt. I
> try to use VMD software to open this file but it can not load this file.
>
> Could you give me your solutions for that?
>
> Many thanks for your help.
>
> Best regards,
>
> Phuong Nguyen
-- NIH Resource for Macromolecular Modeling and Bioinformatics Beckman Institute for Advanced Science and Technology University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801 http://www.ks.uiuc.edu/~johns/ Phone: 217-244-3349 http://www.ks.uiuc.edu/Research/vmd/ Fax: 217-244-6078
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