Proxima is a molecular perception library designed with a double purpose: To be used with immersive molecular viewers (thus providing any required feature not supported by third party libraries) and to be integrated in workflow managers thus providing the functionalities needed for the first steps of molecular modeling studies. It thus stands at the boundary between visualization and computation. The purpose of the present article is to provide a general introduction to the first release of Proxima, describe its most significant features, and highlight its performance by means of some case studies. The current version of Proxima is available for evaluation purposes at https://bitbucket.org/sns-smartlab/proxima/src/master/.

Molecular Perception for Visualization and Computation: The Proxima Library

Lazzari F.;Salvadori A.;Mancini G.
;
Barone V.
2020

Abstract

Proxima is a molecular perception library designed with a double purpose: To be used with immersive molecular viewers (thus providing any required feature not supported by third party libraries) and to be integrated in workflow managers thus providing the functionalities needed for the first steps of molecular modeling studies. It thus stands at the boundary between visualization and computation. The purpose of the present article is to provide a general introduction to the first release of Proxima, describe its most significant features, and highlight its performance by means of some case studies. The current version of Proxima is available for evaluation purposes at https://bitbucket.org/sns-smartlab/proxima/src/master/.
2020
Settore CHIM/02 - Chimica Fisica
Models, Molecular; Workflow; Perception
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11384/109040
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