ARVO-CL: The OpenCL version of the ARVO package — An efficient tool for computing the accessible surface area and the excluded volume of proteins via analytical equations

  • Jan Buša (貢獻者)
  • Shura Hayryan (貢獻者)
  • Ming-Chya Wu (貢獻者)
  • Chin Kun Hu (貢獻者)

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Abstract
Introduction of Graphical Processing Units (GPUs) and computing using GPUs in recent years opened possibilities for simple parallelization of programs. In this update, we present the modernized version of program ARVO [J. Buša, J. Dzurina, E. Hayryan, S. Hayryan, C.-K. Hu, J. Plavka, I. Pokorný, J. Skivánek, M.-C. Wu, Comput. Phys. Comm. 165 (2005) 59]. The whole package has been rewritten in the C language and parallelized using OpenCL. Some new tricks have been added to the algorithm in ord...

Title of program: ARVO-CL
Catalogue Id: ADUL_v2_0

Nature of problem
Molecular mechanics computations, continuum percolation

Versions of this program held in the CPC repository in Mendeley Data
ADUL_v1_0; ARVO; 10.1016/j.cpc.2004.08.002
ADUL_v2_0; ARVO-CL; 10.1016/j.cpc.2012.04.019

This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
可用日期2019
發行者Mendeley Data

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