Actually, we don't need to reserve the word molecule in this way. The
context would tell you what is meant.
My guess is that by "molecule" Rasmol means "model". While we could in
principle implement RasMol's "molecule" command as such, I think this
points out that Jmol is not "just" a RasMol look-alike. Thus, in the
crystallography context, the RasMol "molecule" command makes no sense
whatsoever. My guess is that the Jmol "model" command is the
equivalent of the RasMol "molecule" command, only better named. More
likely (I suspect) if in Jmol we implemented a "molecule" command, it
would really have to do with "molecules" and be somewhat different
from the RasMol command.
Bob
Angel Herraez wrote:
(This post branches out of the "bug or not a bug" discussion)
For the future, a distinction must be prepared between MOLECULE as
set of bonded atoms (as per Bob's recent post) and MOLECULE if Jmol
gets ready to load more than one file (as newest Rasmol is able to
do, and I understood in some previos message this was the idea when
talking about molecules)
"Molecule" is a command for Rasmol 2.7.3, so I think this word should
be reserved in Jmol for future compatibility. I see as very
interesting the ability of recognizing bonded set of atoms, but a
different keyword should be chosen.
-------
from Rasmol 2.7.3 manual:
Molecule
Syntax: molecule <number>
The RasMol 'molecule' command selects one of up to 5 previously
loaded molecules for active manipulation. While all the molcules are
displayed and may be rotated collectively (see the 'rotate all'
command), only one molecule at a time time is active for manipulation
by the commands which control the details of rendering.
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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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