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MITHRIL –an integrated direct‐methods computer program
Author(s) -
Gilmore C. J.
Publication year - 1984
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/s0021889884010992
Subject(s) - fortran , computer science , tangent , direct methods , computational science , computer program , mode (computer interface) , programming language , algorithm , crystallography , operating system , mathematics , chemistry , geometry
A new direct‐methods computer program, MITHRIL , is described. Written in a neutral subset of Fortran IV, it is built around a heavily modified MULTAN 80 system. It incorporates many recent theoretical developments in direct methods including the use of quartet and quintet invariants, a new method for estimating triplets, YZARC and MAGEX , and random‐phase tangent refinement. It can be run as a menu‐driven interactive real‐time package or in the more conventional batch mode. Several levels of user‐program interaction are provided.