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AnAnaS: Software for Analytical Analysis of Symmetries in Protein Structures

By Guillaume Pagès and Sergei Grudinin

Abstract

International audienceSymmetry is very common among proteins found in structural databases such as the PDB. We present novel software, called AnAnaS, that finds positions and orientations of the symmetry axes in all types of symmetrical protein assemblies. It deals with five symmetry groups, cyclic, dihedral, tetrahedral, octahedral, and icosahedral. The software also assesses the quality of symmetry and can detect symmetries in incomplete cyclic assemblies. Internally, AnAnaS comprises discrete and continuous optimization steps and is applicable to assemblies with multiple chains in the asymmetric subunits or to those with pseudo-symmetry. The method is very fast, as most of the steps are performed analytically

Topics: Protein Symmetry, Protein Assembly, Continuous optimization, Symmetry axes detection, Quaternion arithmetic, [INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM], [INFO.INFO-CG]Computer Science [cs]/Computational Geometry [cs.CG], [MATH.MATH-OC]Mathematics [math]/Optimization and Control [math.OC]
Publisher: 'Springer Science and Business Media LLC'
Year: 2020
DOI identifier: 10.1007/978-1-0716-0708-4_14
OAI identifier: oai:HAL:hal-02931690v1
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