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DEMON / ANGEL : a suite of programs to carry out density modification
Author(s) -
Vellieux F. M. D. A. P.,
Hunt J. F.,
Roy S.,
Read R. J.
Publication year - 1995
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s0021889894012355
Subject(s) - suite , flattening , symmetry (geometry) , crystal (programming language) , crystallography , carry (investment) , crystal structure , demon , chemistry , physics , computer science , chemical physics , mathematics , geometry , quantum mechanics , programming language , archaeology , finance , astronomy , economics , history
The DEMON/ANGEL suite of computer programs has been developed to carry out density modification by non‐crystallographic symmetry‐averaging, solvent‐flattening and histogram‐mapping techniques. This suite consists of programs that allow molecular envelopes to be defined and modified, non‐crystallographic symmetry operators to be refined either within one crystal form or between several crystal forms, and iterative density modification to be carried out, including non‐crystallographic symmetry averaging of electron densities within or between crystal forms.