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Developments in the MITHRIL direct methods program
Author(s) -
Gilmore C. J.,
Brown S. R.
Publication year - 1988
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/s0021889888005394
Subject(s) - upgrade , unix , computer science , computation , computer program , magnitude (astronomy) , computational science , algorithm , programming language , operating system , software , physics , astronomy
A major upgrade to the MITHRIL direct‐methods computer program is described. This includes a symbolic addition module for centrosymmetric structures, an E magnitude filtering method, the generation of missing weak intensity data, the computation of standard deviations for E magnitudes and a review system for exploring structures where the figures of merit are contradictory. The program has also been re‐dimensioned to allow larger structures to be attempted, and easy provision has been made for both the UNIX and VMS operating systems.