The challenges of building biomolecular assemblies for both public domain structures and inhouse structures are minimised with DesertSci’s latest extensions to the Proasis Advanced Symmetry Module.
Symmetry molecules are built for public data using curated header data, and for inhouse data (when this information is not usually available) using intermolecular atomic contact counts and a minimal spanning tree to find connected chains. Careful data handling is then applied to ensure the correct symmetry operations are applied to all small molecules and all waters, and to ensure correct chain labeling.
The assembly building tool is very easy to use with Proasis3, and as a ProasisAPI resource.
The Proasis Advanced Symmetry Module is available as standard with the Proasis System.
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