Thanks, Rolf. I stand corrected. It's a moot point, as I've now
configured the prototype to allow you absolute total freedom to view
and compare and overlay whatever combination of alternate locations
you could ever imagine.
The key to breaking this conundrum was in realizing that Jmol should
not do this automatically and that "runs" really have nothing to do
with it. Basically, the user must be an informed user; there is just
too much variability in how these are defined.
Nonetheless, I see a compromise in introducing the "conformation"
command as a quick way to visualize "all A" or "all B" very quickly an
simply. One nice thing about that command as I have configured it is
that it doesn't matter if the alternate locations are designated with
numbers (123) or letters (ABC) or how many there are at all.
I know, in some cases these aren't mutually exclusive "conformations",
but in many cases they are, and in all cases this visualization should
be useful to some extent, particularly with the coloring option:
color altloc
see http://www.stolaf.edu/people/hansonr/jmol/test/proto/altloc.htm
for examples.
Bob
--
Robert M. Hanson, [EMAIL PROTECTED], 507-646-3107
Professor of Chemistry, St. Olaf College
1520 St. Olaf Ave., Northfield, MN 55057
mailto:[EMAIL PROTECTED]
http://www.stolaf.edu/people/hansonr
"Imagination is more important than knowledge." - Albert Einstein
-------------------------------------------------------
Using Tomcat but need to do more? Need to support web services, security?
Get stuff done quickly with pre-integrated technology to make your job easier
Download IBM WebSphere Application Server v.1.0.1 based on Apache Geronimo
http://sel.as-us.falkag.net/sel?cmd=lnk&kid=120709&bid=263057&dat=121642
_______________________________________________
Jmol-users mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/jmol-users
