TY - JOUR
T1 - ENIGMA
T2 - Maximum-entropy method program package for huge systems
AU - Tanaka, Hiroshi
AU - Takata, Masaki
AU - Nishibori, Eiji
AU - Kato, Kenichi
AU - Iishi, Takashi
AU - Sakata, Makoto
PY - 2002
Y1 - 2002
N2 - 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).
AB - 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).
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U2 - 10.1107/S002188980200050X
DO - 10.1107/S002188980200050X
M3 - Article
AN - SCOPUS:0036215663
VL - 35
SP - 282
EP - 286
JO - Journal of Applied Crystallography
JF - Journal of Applied Crystallography
SN - 0021-8898
IS - 2
ER -