Automated Topology Builder

The Automated Topology Builder (ATB) and Repository (http://compbio.biosci.uq.edu.au/atb/) provides the following:

• A repository for building blocks and interaction parameter files for molecules described using GROMOS force fields.
• An automated builder to help generate building blocks for novel molecules, compatible with the GROMOS 53A6 force field and in formats appropriate for the GROMACS, GROMOS and CNS simulation packages.
• Refined geometries for molecules within the repository.
• Equilibrated starting coordinates for a range of biologically important systems