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

Project Samples

Project Activity

See All Activity >

License

MIT License

Follow CemCon

CemCon Web Site

Other Useful Business Software

MongoDB Atlas runs apps anywhere

Deploy in 115+ regions with the modern database for every enterprise.

MongoDB Atlas gives you the freedom to build and run modern applications anywhere—across AWS, Azure, and Google Cloud. With global availability in over 115 regions, Atlas lets you deploy close to your users, meet compliance needs, and scale with confidence across any geography.

Start Free

Rate This Project

User Reviews

Be the first to post a review of CemCon!

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

2026-06-23

Similar Business Software

SnapGene

Accurately design and simulate cloning procedures. Test complicated projects, catch errors before they happen, and obtain the right constructs the first time. Cloning is easier when you can see what you are doing. The intuitive interface offers you unparalleled visibility into your work,...

See Software
MEGA

MEGA (Molecular Evolutionary Genetics Analysis) is a powerful and user-friendly software suite designed for analyzing DNA and protein sequence data from species and populations. It facilitates both automatic and manual sequence alignment, phylogenetic tree inference, and evolutionary hypothesis...

See Software
OmnibusX

In the world of biological data science, navigating vast and complex datasets can be a daunting task. Our software toolkit is designed to empower you by accelerating analysis, promoting accessibility, and providing comprehensive visualization tools to help you make sense of these intricate...

See Software
Avogadro

Avogadro is an advanced molecule editor and visualizer designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible high quality rendering and a powerful plugin architecture. Avogadro is a free,...

See Software
Pluto

Since its founding in 2021 from the Wyss Institute at Harvard University, Pluto has become a trusted partner of life sciences organizations around the country ranging from biotech start-ups to public biopharma companies. Our cloud-based platform gives scientists the ability to manage all of...

See Software
GenomeBrowse

This free tool delivers stunning visualizations of your genomic data that give you the power to see what is occurring at each base pair in your samples. GenomeBrowse runs as a native desktop application on your computer. No longer do you have to sacrifice speed and interface quality to obtain a...

See Software