Macromolecular electron density averaging on distributed memory MIMD systems

نویسندگان

  • Dan C. Marinescu
  • John R. Rice
  • Marius A. Cornea-Hasegan
  • Robert E. Lynch
  • Michael G. Rossmann
چکیده

The paper discusses algorithms and programs for electron density averaging using a distributed memory MIMD system. Electron density averaging is a computationally intensive step needed for phase refinement and extension in the computation of the 3-D structure of macromolecules like proteins and viruses. The determination of a single structure may require thousands of hours of CPU time for traditional supercomputers. The approach discussed in this paper leads to a reduction by one to two orders of magnitude of the computing time. The program runs on an Intel iPSCj860 and on the Touchstone Delta system and uses a user controlled shared virtual memory and a dynamlc load balancing mechanism.

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عنوان ژورنال:
  • Concurrency - Practice and Experience

دوره 5  شماره 

صفحات  -

تاریخ انتشار 1993