Chem::Mol

This module provides support for reading MDL Mol files, including the variants V2000 and V3000.

Format specification found in the CTFile Formats document published by BIOVIA.

NOTE: The title in the MOL file will be used as residue name if it contains 3-4 uppercase letters and numbers only. In such case, the comment line will be set as the title of the structure.

WARNING: Basic support only. MDL valence model (implicit hydrogens), connectivity information besides bonds, stereochemistry information (e.g., chirality, 3D), advanced properties like Sgroup, reaction data, etc. are unsupported/ignored. Therefore, hydrogens are expected to be defined explicitly.