Collision Cross Section Calculations Using HPCCS.

Methods Mol Biol

Center for Computing in Engineering and Sciences, Institute of Chemistry, University of Campinas, Campinas, São Paulo, Brazil.

Published: December 2020

A technical overview of the High Performance Collision Cross Section (HPCCS) software for accurate and efficient calculations of collision cross sections for molecular ions ranging from small organic molecules to large protein complexes is presented. The program uses helium or nitrogen as buffer gas with considerable gains in computer time compared to publicly available codes under the Trajectory Method approximation. HPCCS is freely available under the Academic Use License at https://github.com/cepid-cces/hpccs .

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http://dx.doi.org/10.1007/978-1-0716-0030-6_19DOI Listing

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