CemCon

CemCon is a desktop application developed for automated batch conversion of SMILES strings into optimized 3D molecular structures. The software is designed to simplify ligand preparation workflows for molecular docking, virtual screening, molecular dynamics simulations, and other Computer-Aided Drug Design (CADD) applications.

Developed by Abhijit Reang and Sandip Das under the supervision of Dr. Arabinda Ghosh, Department of Molecular Biology and Bioinformatics, Tripura University, India.

© 2026

Features

Batch conversion of multiple SMILES compounds
Automated 3D conformer generation
Geometry optimization using MMFF94 or UFF force fields
Export to PDB, PDBQT, and MOL2 formats
User-friendly graphical interface
Real-time progress monitoring

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License

MIT License

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Additional Project Details

Operating Systems

Windows

Intended Audience

Advanced End Users, Education, Healthcare Industry, Science/Research

User Interface

Programming Language

Python

Related Categories

Python Bio-Informatics Software

Registered

1 day ago

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