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mtz2sca and mtz2hkl : facilitated transition from CCP4 to the SHELX program suite
Author(s) -
Grune Tim
Publication year - 2008
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/s0021889807050054
Subject(s) - phaser , suite , computer science , software , programming language , software suite , software engineering , computational science , engineering , archaeology , electrical engineering , history
In macromolecular crystallography several programs are available to fulfil the steps from data integration via phasing to model refinement. The pathway is not fixed and it is often useful to combine several similar programs. There is no common data format used by all programs and conversions are required between the different packages. Two utility programs are presented that facilitate the transition from mtz format to formats that are suitable for SHELXD or SHELXH / SHELXL . The programs are statically linked and do not require the installation of libraries or other additional software.