splitmol

Description

Splitmol is a tool that splits any sdf, smi or mol2 file in smaller files.
We recommend using it on large MOL2 files before running DockFlow.

It relies on Open Babel to perform the splitting.

Usage

splitmol

• -h|--help : Show this help message and quit
• -i : Input file
• -o : Common name of the output files
• -fo : Format of the output file
• -max : Maximum number of molecules per output file

Example

splitmol -i ligands.mol2 -o lig_splitted -fo mol2 -max 20

Output :

lig_splitted_1_20.mol2
lig_splitted_21_40.mol2
lig_splitted_41_60.mol2
lig_splitted_61_62.mol2