The reason for this is that in the case we are aiming at right now, the
protein is symmetric such that two particular surfaces of the bounding
box indeed do coincide with the binding site. The box then enables us to
approximate the charge distribution by locating the overall charge of
the protein (given a pH) at the center of the box. Being able to orient
the protein (together with the box) would allow to find a value for the
distance of this approximated charge distribution to the surface (by
taking half the side length normal to the wire). This is why we are
hoping to find a way of making it possible for the user to select which
box surface is actually facing the wire.
Please excuse for returning the quoted text.
Martin
On 28.06.11 06:28, Robert Hanson wrote:
[Let's get in the habit of clipping out quoted text, please.]
I suggest it is more likely that the planes will not correspond to any
particular binding region. The user will want to (and certainly can be
free to) rotate and translate the protein to any orientation and
position relative to the surface they wish to. Why the box??
Bob
--
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
------------------------------------------------------------------------------
All of the data generated in your IT infrastructure is seriously valuable.
Why? It contains a definitive record of application performance, security
threats, fraudulent activity, and more. Splunk takes this data and makes
sense of it. IT sense. And common sense.
http://p.sf.net/sfu/splunk-d2d-c2
_______________________________________________
Jmol-users mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/jmol-users
------------------------------------------------------------------------------
All of the data generated in your IT infrastructure is seriously valuable.
Why? It contains a definitive record of application performance, security
threats, fraudulent activity, and more. Splunk takes this data and makes
sense of it. IT sense. And common sense.
http://p.sf.net/sfu/splunk-d2d-c2
_______________________________________________
Jmol-users mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/jmol-users
