ENIGMA: Maximum-entropy method program package for huge systems

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

研究成果: Article査読

110 被引用数 (Scopus)

抄録

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).

本文言語English
ページ(範囲)282-286
ページ数5
ジャーナルJournal of Applied Crystallography
35
2
DOI
出版ステータスPublished - 2002
外部発表はい

ASJC Scopus subject areas

  • 生化学、遺伝学、分子生物学(全般)

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