Re: [Jmol-users] Code Snippet

Sorry, that was a concatenation of two ideas: This also works. load $caffeine print {*}.mass.sum 194.194​ -- ___ Jmol-users mailing list Jmol-users@lists.sourceforge.net h

Re: [Jmol-users] Code Snippet

Clever! For full molecules from NCI you can also do: I think this also works. load $caffeine print {*}.mass.sum 194.194 ;) -- ___ Jmol-users mailing list Jmol-users@lists.sourc

[Jmol-users] Code Snippet

I was working on an approach to simplify an old Javascript stoichiometric routine that I have to determine the mass of model fragments in the Jmol window - i.e. click break bonds and look at the resulting masses to emulate MS fragmentation. While playing around, I noticed the Jmol is ideally sui