> corresponding to said covalent graph (meaning if valence angle ABC is used
> to embed a point there is a bond AB and a bond BC). I would like to compare
> the efficiency of my code with openbabel. Is there a piece of code that
> traverses the covalent graph and gives vertices cartesian coordinates using
> internal ?
Sure - OBInternalToCartesian.
http://openbabel.org/api/2.3/namespaceOpenBabel.shtml#ae82e7b7b74e5212eada681c15afb77f4
<http://openbabel.org/api/2.3/namespaceOpenBabel.shtml#ae82e7b7b74e5212eada681c15afb77f4>
You can also pick any of several internal coordinate formats and convert to
XYZ, as an example.
-Geoff
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