An extended variant of idock which was originally developed by @HongjianLi.

Structify is a lightweight and efficient tool for converting chemical structure file formats. Structify simplifies the process of converting between formats commonly used in computational chemistry and molecular docking workflows.

A command line tool for fixing problematic chemical elements in PDBQT files.

A command line tool for renumbering protein sequence in PDB/PDBQT molecular models.

Herein, I introduce some mol2-to-pdbqt converters written in R and Python

Step to reproduce the OpenBabel PDBQT tree error resulting in re-docking failure.

After the DNA sequencing file gets infected with additional data, this program deals with PDBQT files and removes unnecessary information to get back original data files

Add molecule name into meeko pdbqt