What it does?

This tool uses OpenBabel to convert an input molecule file, typically a SD file, to individual output molecule files in pdbqt, pdb, mol or mol2 formats. There is one output file for each record in the input. Protonation is performed at a specified pH and 3D coordinates can optionally be generated. 3D coordinate generation should be used when the docking program requires 3D structures and the input is not 3D.

The most typical usage is to process a set of ligands in a SD file that will be docked by VINA. In this case the pdbqt output format should be used, and the resulting collection of molecules can be used as input by VINA.

Input

Molecules such as an SD file dataset in history.

Output

A collection of individual molecule files in the specified format.