Re: [Jmol-users] several molecules

[Bob H. <ha...@st...>]

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, ha...@st..., 507-646-3107
Professor of Chemistry, St. Olaf College
1520 St. Olaf Ave., Northfield, MN 55057
mailto:ha...@st...
http://www.stolaf.edu/people/hansonr

"Imagination is more important than knowledge."  - Albert Einstein