MATLAB function for parsing TRIPOS Mol2 format files


Updated 1 Aug 2022

View License

Parses a Tripos Mol2 file into a cell array with one data structure per molecule described in the file (or, if only a single molecule is present, just a data structure for the molecule). The data structure (or each data structure, if more than one molecule is present in the input file) contains information about atomic coordinates, atom names, atom types, bond connectivity (and bond type) and general information about the molecule. Note that currenty this parser only parses data in the MOLECULE, ATOM and BOND sections of a mol2 file and ignores other sections. However, it should not be too difficult to modify the code to parse other sections as needed.

Cite As

David Snyder (2023). parse_mol2 (, MATLAB Central File Exchange. Retrieved .

MATLAB Release Compatibility
Created with R2022a
Compatible with any release
Platform Compatibility
Windows macOS Linux
Tags Add Tags

Community Treasure Hunt

Find the treasures in MATLAB Central and discover how the community can help you!

Start Hunting!
Version Published Release Notes