NAME

Chemistry::File::CML - Chemical Markup Language reader/writer

SYNOPSIS

    use Chemistry::File::CML;

    # read a molecule
    my $mol = Chemistry::Mol->read('myfile.cml');

    # write a molecule
    $mol->write('myfile.cml');

DESCRIPTION

Chemical Markup Language reader/writer.

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

This version reads and writer only some of the information available in CML files. It does not read stereochemistry yet, but this is envisaged in future.

This module is part of the PerlMol project, https://github.com/perlmol.

Format specifics

As not all atoms in a CML file may have coordinates, those who do are marked with an attribute with value 1:

    $atom->attr('cml/has_coords');

This is because Chemistry::Mol has no other way to denote missing coordinates.

SOURCE CODE REPOSITORY

https://github.com/perlmol/Chemistry-File-CML

SEE ALSO

Chemistry::Mol

AUTHOR

Andrius Merkys <merkys@cpan.org>

COPYRIGHT

Copyright (c) 2022-2023 Andrius Merkys. All rights reserved. This program is free software; you can redistribute it and/or modify it under the same terms as Perl itself.