The app assists with splitting a multi-MOL2 file into individual MOL2 files. It also efficiently processes large multi-mol2 files (up to Gigabytes) by using a generator expression, avoiding the need to load the entire file into memory at once.

The correct functioning of the app relies on accurate molecule names within the input file. Any inconsistencies or missing information in the naming structure may affect the splitting process.

Based on the GitHub: https://github.com/rasbt/protein-science?tab=readme-ov-file#substructure-alignment-using-openeye-oechem-rmsd

Try it out with this Multi-Mol2 File: https://github.com/rasbt/protein-science/blob/master/scripts-and-tools/split_multimol2/data/confs.mol2