Dear Robert.
It appears it is possible to rotate the protein structure together with
the superimposed charge distribution (from the pqr file where every
ionizable residue is approximated by a point charge).
It became possible after removing the 'pqr::' part from the load command.
Martin
On 31.08.11 22:19, Robert Hanson wrote:
When I load three files and display all using frame *
and then use
select 1.1 or 2.1
set picking dragselected
alt-drag and alt-shift drag work as expected.
On Wed, Aug 31, 2011 at 8:48 AM, Martin Hediger <[email protected]
<mailto:[email protected]>> wrote:
Dear List
A question on how to rotate two structures simultaneously.
In a Jmol Applet, the following script is executed (exemplified):
[begin of script]
load protein.pdb
load APPEND pqr::protein_charge_distribution.pqr
select 1.1
ribbon only
select 2.1
set propertycolorscheme "bwr"
color property partialcharge range -1.0 1.0
spacefill 100%
//At this point, the protein displays nicely as a ribbon structure
//where some charges are superimposed as pink spheres.
//In the PQR file, the charges range from -1.0 to +1.0, so I
//was hoping to see different colors.
//If i now open a console and enter the "set propertycolorscheme
\"bwr\""
//and "color property partialcharge range -1.0 1.0" command again
//the spheres turn from pink to white.
//Nevermind, now I want to enable that both the ribbon structure
and the
charges
//can be rotated by the user (using alt+<LEFT_MOUSE>)
select 1.1, 2.1
set allowRotateSelected True
[end of script]
Unfortunately, only the charges are rotatable and naturally the
superposition
with the ribbon structure is lost.
However, if I enter the command "select 1.1, 2.1" into a console
(after
the jmol applet loaded), the ribbon as well
as the charges distribution become rotatable exactly in the way as I
wish. Its just not
so by default which I would like to enable.
Thank you for any feedback on this.
Martin Hediger
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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
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