I notice that those are not what others would refer to as "XYZ" files -- in
other words, I notice you are using a customized Jmol with your own "FoldingXYZ"
format. About the only thing you could do at this point, since you have that
file format already, is make sure you know what the sequence numbers of the
atoms in the file are and say something like
select atomno=2 or (atomno>5 and atomno<10) ;restrict selected
might not be that bad.
Bob Hanson
Nicolas Vervelle wrote:
Hi,
I have xyz files (only atoms coordinates and bonds definition) containing :
- one or more protein molecules
- a lot of of other molecules (solvant like water, CHCl3, CO(NH2)2, ...)
It's for the Jmol fah page : http://www.jmol.org/fah
I would like to be able to select the other molecules to hide them.
I don't think it is possible with the current version of Jmol (if I am
wrong, that would be great).
One constraint: I don't want to modify the xyz files, they must stay as they
are.
I was thinking of adding this functionality to the script language,
something like :
"select structure <molecule_identification>"
Of course, I would code this modification myself ;)
<molecule_identification> could be :
- a predefined name (water, h2o, hoh, ...)
- a description of the molecule structure describing atoms and bonds of the
molecule
So my questions :
1. Would it be a good idea to add such a functionality ?
2. Someone has a suggestion on a format for the description of the molecule
structure ?
Nicolas
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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
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