NAME

Chemistry::File::MDLMol - MDL molfile reader

SYNOPSIS

use Chemistry::File::MDLMol;

my $mol = Chemistry::Mol->read('myfile.mol');
print $mol->print;

DESCRIPTION

MDL Molfile (V2000) reader.

This module automatically registers the 'mdl' format with Chemistry::Mol.

The first three lines of the molfile are stored as $mol->name, $mol->attr("mdlmol/line2"), and $mol->attr("mdlmol/comment").

This version only reads the basic connection table: atomic symbols, coordinates, bonds and bond types. It doesn't read charges, isotopes, or any extended properties yet.

SEE ALSO

Chemistry::Mol

The MDL file format specification. http://www.mdl.com/downloads/public/ctfile/ctfile.pdf or Arthur Dalby et al., J. Chem. Inf. Comput. Sci, 1992, 32, 244-255.

AUTHOR

Ivan Tubert-Brohman <itub@cpan.org>