autofragment.io.readers.mol2

Tripos MOL2 file reader.

This module provides functions for reading Tripos MOL2 files into ChemicalSystem objects, including support for Tripos atom types, bond orders, and partial charges.

Functions

read_mol2(filepath[, molecule_index])	Read Tripos MOL2 file into ChemicalSystem.
read_mol2_multi(filepath)	Read all molecules from a MOL2 file.