Paket: libchemistry-file-mdlmol-perl (0.24-1)

[ Quellcode: libchemistry-file-mdlmol-perl  ]

MDL molfile/SDF (V2000) reader/writer

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.

Andere Pakete mit Bezug zu libchemistry-file-mdlmol-perl

• dep: libchemistry-mol-perl

  Molecule object toolkit

• dep: perl

  Larry Wall's Practical Extraction und Report Language

• rec: libchemistry-isotope-perl

  table of the isotopes exact mass data

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