search

kylelutz / chemkit

A C++ library for molecular modelling, cheminformatics and molecular visualization.
http://www.chemkit.org
BSD 3-Clause "New" or "Revised" License
54 stars 26 forks source link

Conversion from cartesian coordinates to internal coordinates #5

Open kylelutz opened 13 years ago

kylelutz commented 13 years ago

Add a method to convert from cartesian coordinates (the Coordinates class) to internal coordinates (the InternalCoordinates class).