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Revision history for Perl extension Chemistry::File::MDLMol.
0.21 Sun May 10 2009
- Added automatic aromatization of patterns, as suggested by Peter
Spiro.
- Added a new default test subroutine for bonds, that takes aromaticity
into account.
0.20 Fri May 20 2005
- Added support for charges and radicals.
- Add implicit hydrogens on read.
- Support for some query properties: atom lists, bond topology, and
bond types.
0.19 Mon Jan 31 2005
- Fixed documentation bug in SDF.pm SYNOPSIS.
0.18 Thu Jan 27 2005
- Compatibility with Chemistry::File 0.30 (for sequential SDF reading)
0.17 Wed Jul 21 2004
- Fixed name_is in MDLMol, which was using .sdf instead of .mol as the
extension.
0.16 Wed Jun 30 2004
- Added missing name_is methods.
- Fixed default atom and bond class handling in MDLMol.
0.15 Fri May 14 2004
- Added write_string method to MDLMol.pm and SDF.pm
- Changed SDF data storage attribute to a hash ref in 'sdf/data'
instead of storing each attribute individually.
0.10 Fri Feb 20 2004
- First release