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Chemistry-InternalCoords-0.15
River stage one • 2 direct dependents • 3 total dependents
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Changes for version 0.15

  • New methods: distance, angle, dihedral
  • New module: Chemistry::InternalCoords::Builder

Modules

Chemistry::InternalCoords
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.
Chemistry::InternalCoords::Builder
Build a Z-matrix from cartesian coordinates

Other files