ENIGMA: Maximum-entropy method program package for huge systems

Hiroshi Tanaka, Masaki Takata, Eiji Nishibori, Kenichi Kato, Takashi Iishi, Makoto Sakata

Research output: Contribution to journalArticlepeer-review

110 Citations (Scopus)

Abstract

ENIGMA (Electron and Nuclear Image Generator by Max-ent Analysis) is a program package to evaluate three-dimensional electron and nuclear density from X-ray and neutron diffraction data by using the maximum-entropy method (MEM). Compared with the previous program package MEED, ENIGMA saves computing time and frees memory space at the same time by employing parallel data processing. The fast Fourier transformation (FFT) technique is also implemented. As a consequence of these improvements, the MEM analysis by ENIGMA becomes applicable to huge systems, such as proteins and polymers, when the phased structure factors are provided. The package is transferable to a wide variety of parallel computers, because it is written in Fortran 90 and a standard message-passing interface (MPI).

Original languageEnglish
Pages (from-to)282-286
Number of pages5
JournalJournal of Applied Crystallography
Volume35
Issue number2
DOIs
Publication statusPublished - 2002
Externally publishedYes

ASJC Scopus subject areas

  • Biochemistry, Genetics and Molecular Biology(all)

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