Computational Chemistry 1.10 - Z-Matrix Format

[@eduardosr9859]

How one can compare the Z matrices of different molecules? For examples, in a mathematical way, lets say I want to compare water and methane. The matrices are of a different size, and they also do not share the same atoms, etc... :)

[@evgeniygromov8824]

For comparison in a mathematical way, the number of atoms and connectivity should be the same in the Z-matrices you want to compare. You can compare water and methane if you remove two hydrogen atoms from the Z-matrix of methane.

[@오현민-m2t]

why not use or introduce gzmat? it seems it's one of valid format of Avogadro

[@Peter-yx6ob]

Hey TMP Chem, by any chance do you have a script that converts xyz to zmat???

[@chiquitocrasto]

Download OpenBabel, you get all kinds of conversions, including to Z-matrix

[@mstfoz]

Does Z-Matrix format indicate bond type of between the atoms?