Hi, is possible to set the molecular hierarchy using Perl? (Modules --> Morphology --> Crystal Graph --> Molecules).
The idea is that I have an array of molecules and I want to calculate it's molecular weight. I need to do it in script mode because I am deleting atoms and creating new molecules so in each loop I need to reset the molecular hierarchy. Otherways I cannot use \$doc -> Molecules -> Count because each loop changes the composition.
Thanks a lot
Josep