libchemistry-file-mdlmol-perl

Description

Chemistry::File::MDLMol automatically registers the 'sdf' format with Chemistry::Mol.

The parser returns a list of Chemistry::Mol objects. SDF data can be accessed by the $mol->attr method. Attribute names are stored as a hash ref at the "sdf/data" attribute, as shown in the synopsis. When a data item has a single line in the SDF file, the attribute is stored as a string; when there's more than one line, they are stored as an array reference. The rest of the information on the line that holds the field name is ignored.

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Homepage

https://metacpan.org/release/Chemistry-File-MDLMol

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