Chemistry::File::MDLMol - MDL molfile reader/writer
use Chemistry::File::MDLMol; # read a molecule my $mol = Chemistry::Mol->read('myfile.mol'); # write a molecule $mol->write("myfile.mol");
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 and writes the basic connection table: atomic symbols, coordinates, bonds and bond types. It doesn't read charges, isotopes, or any extended properties yet.
This module is part of the PerlMol project, http://www.perlmol.org.
0.17
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.
The PerlMol website http://www.perlmol.org/
Ivan Tubert-Brohman <itub@cpan.org>
To install Chemistry::File::MDLMol, copy and paste the appropriate command in to your terminal.
cpanm
cpanm Chemistry::File::MDLMol
CPAN shell
perl -MCPAN -e shell install Chemistry::File::MDLMol
For more information on module installation, please visit the detailed CPAN module installation guide.