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

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 to

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

On Sat, Dec 7, 2013 at 9:01 PM, Whitwell, George gwhitw...@ncwc.edu 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

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

Angel, Thanks, it seems obvious after you pointed out the ALL that I zipped past in the docs. I picked up the braces and brackets from the entries under atom expressions. I'm still trying to grasp some of the syntax for that, but no matter. As noted, getProperty measurementInfo.value

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

In Jmol, the first data type in a + b + c sets the type. So you want to start that with an empty string to force string addition: print + But you can do better than that. If x and y are arrays, you can do this: print x.format(%8.2f).add(\t).add(y.format(%8.2f)) This will produce something

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

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