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Strategy: A Program for the Determination of the
Optimal Starting Spindle Angle in X-Ray Crystallography Data-Collection
Raimond B.G. Ravelli
Department of Crystal and Structural Chemistry
Bijvoet Center for Biomolecular Research
Utrecht University
Padualaan 8, 3584 CH Utrecht, The Netherlands
Abstract:
STRATEGY is a program for the determination of the optimal starting spindle
angle in X-ray data collection on crystals of macromolecular compounds using
a 1-circle diffractometer with a 2D-detector. The program reads the starting
crystal orientation and cell parameters from a DENZO intensities x-file
and simulates all the reflections that can occur during a 360 degrees rotation
of the crystal. It determines whether the reflections can be recorded on the detector,
sorts them, gives pictures of the needed oscillation range as a function of
the starting spindle angle for different degrees of completeness of the dataset wanted,
and produces redundancy tables for the shortest data collection possible for
each desired completeness. Neither mosaicity nor overlaps are taken into account.
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