Hello,
I want to convert the Cartesian coordinates of a molecule to internal coordinates in PP... Unfortunately, I can't find an appropriate function (Perl or PilotScript) or component to do this... Do you know how to make this type of conversion? Any suggestion or even a working example?
Thanks in advance,
Nikola
I want to convert the Cartesian coordinates of a molecule to internal coordinates in PP... Unfortunately, I can't find an appropriate function (Perl or PilotScript) or component to do this... Do you know how to make this type of conversion? Any suggestion or even a working example?
Thanks in advance,
Nikola