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A CPU benchmark for protein crystallographic refinement

✍ Scribed by Philip E. Bourne; Wayne A. Hendrickson

Publisher
Elsevier Science
Year
1990
Tongue
English
Weight
904 KB
Volume
20
Category
Article
ISSN
0010-4825

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✦ Synopsis

The CPU time required to complete a cycle of restrained least-squares refinement of a protein structure from X-ray crystallographic data usmg the FORTRAN codes PROTIN and PROLSQ are reported for 48 different processors, ranging from single-user workstations to supercomputers.

Sequential, vector, VLIW. multiprocessor, and RISC hardware architectures are compared using both a small and a large protein structure. Representative compile times for each hardware type are also given, and the improvement in run-time when coding for a specific hardware architecture considered. The benchmarks involve scalar integer and vector floating point arithmetic and are representative of the calculations performed m many scientific disciplines,

Benchmark PROTIN

Compile times

πŸ“œ SIMILAR VOLUMES

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## Abstract We have assembled a nonredundant set of 144 protein–protein complexes that have high‐resolution structures available for both the complexes and their unbound components, and for which dissociation constants have been measured by biophysical methods. The set is diverse in terms of the bi