Jmol has a PQR reader -- points, charge, and radius. Jmol will assign the
partial charge and VDW radius from the file data. (Although radii < 0.9 are
simply assigned 1.0)
Let us know if you have problems with it - just send me the file that causes
the problems.
Bob
On Sun, Aug 7, 2011 at 10:03 AM, Martin Hediger <[email protected]> wrote:
> Dear List
> I am trying to visualize a PQR file in Jmol. The PQR file has an
> additional column of data behind the coordinates in the standard PDB file.
> Is it possible out-of-the-box?
>
> Thanks for any hints.
> Martin
>
>
> ------------------------------------------------------------------------------
> BlackBerry® DevCon Americas, Oct. 18-20, San Francisco, CA
> The must-attend event for mobile developers. Connect with experts.
> Get tools for creating Super Apps. See the latest technologies.
> Sessions, hands-on labs, demos & much more. Register early & save!
> http://p.sf.net/sfu/rim-blackberry-1
> _______________________________________________
> Jmol-users mailing list
> [email protected]
> https://lists.sourceforge.net/lists/listinfo/jmol-users
>
--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107
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
------------------------------------------------------------------------------
BlackBerry® DevCon Americas, Oct. 18-20, San Francisco, CA
The must-attend event for mobile developers. Connect with experts.
Get tools for creating Super Apps. See the latest technologies.
Sessions, hands-on labs, demos & much more. Register early & save!
http://p.sf.net/sfu/rim-blackberry-1
_______________________________________________
Jmol-users mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/jmol-users
