Cctools 6.5 Site

Please direct questions to the #build-infra channel.

In computational chemistry, simulating large biomolecular systems (like lipid bilayers, protein complexes, or entire viruses) at an all-atom level is computationally prohibitive. CCTools bridges this gap by allowing researchers to convert all-atom structures into simplified "bead" representations, run highly efficient simulations, and map the data back to atomic detail. Version 6.5 introduces enhanced compatibility with modern simulation engines and improved mapping algorithms. Cctools 6.5

In the timeline of the software's development, versioning reflects years of research funded by the and the Department of Energy . Please direct questions to the #build-infra channel

Cctools 6.5 is a critical component of the toolchain. To install: Version 6

CCTools is not a single application but a collection of specialized tools for managing scientific workflows.

A workflow engine that acts like a distributed "Make" utility, allowing users to run large jobs across various systems without changing their underlying code.