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Changes for version 0.30

  • New Chemistry::File interface
  • Added gzip support for reading and writing
  • New Atom methods: sprout_hydrogens, collapse_hydrogens, mass_number
  • New Mol methods: sprout_hydrogens, collapse_hydrogens
  • Added support for Chemistry::Isotope
  • Extended the Chemistry::Obj::attr method
  • New Obj methods: new()
  • Fixed backward compatibility bug in File/Dumper.pm
  • Fixed inconsistency when an object id was changed
  • Improved the testing suite

Documentation

PerlMol Quick Tutorial

Modules

Chemical atoms as objects in molecules
Chemical bonds as objects in molecules
Molecule file I/O base class
Read and write molecules via Data::Dumper
Molecular formula reader/formatter
Molecule object toolkit
Abstract chemistry object