Changes for version 0.15
- New methods: distance, angle, dihedral
- New module: Chemistry::InternalCoords::Builder
Modules
Represent the position of an atom using internal coordinates and convert it to Cartesian coordinates. For generating an internal coordinate representation (aka a Z-matrix) of a molecule from its Cartesian coordinates, see the Chemistry::InternalCoords::Builder module.
Build a Z-matrix from cartesian coordinates