International
Tables for
Crystallography
Volume F
Crystallography of biological macromolecules
Edited by E. Arnold, D. M. Himmel and M. G. Rossmann

International Tables for Crystallography (2012). Vol. F, ch. 15.3, p. 407   | 1 | 2 |

Section 15.3.2. Program operation

K. D. Cowtan,a* K. Y. J. Zhangb and P. Mainc

aDepartment of Chemistry, University of York, York YO1 5DD, England,bDivision of Basic Sciences, Fred Hutchinson Cancer Research Center, 1100 Fairview Ave N., Seattle, WA 90109, USA, and cDepartment of Physics, University of York, York YO1 5DD, England
Correspondence e-mail:  cowtan@ysbl.york.ac.uk

15.3.2. Program operation

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DM and DMMULTI are largely automatic; in order to perform a phase-improvement calculation only two tasks are required of the user:

  • (1) Provide the input data. These must include the reflection data and solvent content, and may also include averaging operators, solvent mask and averaging domain masks.

  • (2) Select the appropriate density modifications and the phase-combination mode to be used in the calculation.

DM and DMMULTI can run with the minimum input above, since the optimum choices for a whole range of parameters are set in the program defaults. For some special problems it may be useful to control the program behaviour in more detail; this is possible through a wide range of keywords to override the defaults. These are all detailed in the documentation supplied with the software.








































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