[Jmol-users] how to glean a recurring bond length from a series of models?

2013-12-07 Thread Whitwell, George
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

Re: [Jmol-users] how to glean a recurring bond length from a series of models?

2013-12-08 Thread Angel Herráez
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

Re: [Jmol-users] how to glean a recurring bond length from a series of models?

2013-12-08 Thread Robert Hanson
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

Re: [Jmol-users] how to glean a recurring bond length from a series of models?

2013-12-08 Thread Whitwell, George
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

Re: [Jmol-users] how to glean a recurring bond length from a series of models?

2013-12-08 Thread Robert Hanson
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