Geometry Analysis Step#
Geometry Analysis is a plug-in for the SEAMM environment that calculates bond lengths, angles, dihedrals, and out-of-plane angles for the current structure. You can either ask for all the terms, only some of the types of terms, e.g. all the bonds, or you can specify a list of terms of interest.
The results are printed, can be stored in tables, and in an upcoming release into the SEAMM database for the job.