Changes for version 0.20

  • Use Scalar::Util::weaken to avoid strong cyclic references and ensure garbage collection.
  • New methods for Chemistry::Mol: delete_atom, delete_bond, clone, combine, separate, distance
  • New methods for Chemistry::Atom: angle, dihedral, angle_deg, dihedral_deg, delete
  • New methods for Chemistry::Bond: delete
  • Chemistry::Mol can export read_mol
  • Chemistry::Atom can export distance, angle, dihedral

Documentation

Modules

Molecular formula reader/formatter
Molecule object toolkit
Abstract chemistry object