I'm trying to get bond lengths from a collection of models from a Gaussian
saddle point exploration (Cl Br exchange by SN2). I can get a single distance
with the measure command (although not with the distance function, so far), but
I've been unsuccessful in finding the key to getting the same
Hi George
http://chemapps.stolaf.edu/jmol/docs/?ver=13.2#measure
says you must use "all" or "allconnected" to work across models/frames
Also, the parenthesis is needed but I'm not sure what the braces will do (it
may depend on the file format). I am not usre why you expect the square
brackets t
On Sat, Dec 7, 2013 at 9:01 PM, Whitwell, George wrote:
> I'm trying to get bond lengths from a collection of models from a
> Gaussian saddle point exploration (Cl Br exchange by SN2). I can get a
> single distance with the measure command (although not with the distance
> function, so far), bu
an equivalent procedure using
the distance function, but haven't figured that way out.
Thanks for your help,
George
From: Angel Herráez [angel.herr...@uah.es]
Sent: Sunday, December 08, 2013 6:24 AM
To: Whitwell, George; jmol-users@lists.sourceforge.net
Subject: Re: [Jmol-us
ay out.
>
>
>
> Thanks for your help,
>
> George
> --------------
> *From:* Angel Herráez [angel.herr...@uah.es]
> *Sent:* Sunday, December 08, 2013 6:24 AM
> *To:* Whitwell, George; jmol-users@lists.sourceforge.net
> *Subject:* Re: [Jmol-users] h
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