Our program, known as CAN, creates and uses a library to update charge, atom type, and name the atoms in any molecular structure (mol2) file and streamlines the process for preparing structures for molecular dynamics simulations.

Features

  • Unix Wrapped Code
  • Python Core Code
  • Preparing Structures For Molecular Dynamics Simulations.

Project Samples

Project Activity

See All Activity >

Follow Charge Atomtype Name (CAN)

Charge Atomtype Name (CAN) Web Site

Other Useful Business Software
Gen AI apps are built with MongoDB Atlas Icon
Gen AI apps are built with MongoDB Atlas

The database for AI-powered applications.

MongoDB Atlas is the developer-friendly database used to build, scale, and run gen AI and LLM-powered apps—without needing a separate vector database. Atlas offers built-in vector search, global availability across 115+ regions, and flexible document modeling. Start building AI apps faster, all in one place.
Start Free
Rate This Project
Login To Rate This Project

User Reviews

Be the first to post a review of Charge Atomtype Name (CAN)!

Additional Project Details

Registered

2021-04-24