Re: [Jmol-users] PQR file with Jmol

[Robert H. <ha...@st...>]

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 <ma...@bl...> 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
>
>
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-- 
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