Jmol 12.3.2 should write PQR files.
write PQR .....
write "filname.pqr"
On Sun, Oct 16, 2011 at 2:14 PM, Martin Hediger <[email protected]> wrote:
> **
> Dear Jmol List
> I find that Jmol can read PQR files (see below). I happen to load a PQR
> file into the Jmol applet. Is use rotateSelected to adjust the charge
> orientation. Can I now write a new PQR file with Jmol based on the new
> coordinates?
> If I issue write("pqr"), what happens is that a jpg file is written, called
> "pqr", with the current view.
>
> Kind regards and thanks for any hints.
> Martin
>
>
>
--
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
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