X8C  / HKL-2000        PROGRAM SUITE


HKL-2000 - program suite for oscillation data processing

The HKL-2000 suite of programs is designed to analyze monochromatic X-ray diffraction data. The programs have been written by Dr. Zbyszek Otwinowski (Southwestern Medical Center, University of Texas) and Dr. Wladek Minor (University of Virginia). The HKL-2000 suite consists of the following programs:

  • DENZO_3D - Auto-indexing, refinement and integration
  • XDISPLAYF - Image display and measurement
  • SCALEPACK - Data scaling
  • STRAT - Strategy and simulation
  • HKLINT - Graphical Command Center

The HKL-2000  package development is supported by the NIH grant GM-53163 to the laboratories of Dr. Zbyszek Otwinowski (Southwestern Medical Center at Dallas) and Dr. Wladek  Minor (University of Virginia). The HKL-2000 program package available at the X8C. beamline is provided on the basis of scientific   collaboration between the X8C and the laboratories of Drs. Otwinowski  and Minor.

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The plan for further specific implementation of  HKL-2000  on NSLS beamlines (including detector calibration, beam line and detector diagnostic)  is contingent upon funding by the NSLS grant to the program authors' laboratories.

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Reference

The use of the package should be referenced in publication as follows:

Z. Otwinowski and W. Minor "Processing of X-ray Diffraction Data Collected in Oscillation Mode", Methods in Enzymology, Volume 276: Macromolecular Crystallography, part A, p. 307-326, 1997, C.W. Carter, Jr. and R.M. Sweet, Eds., Academic Press.

 

Documentation

The HKL Manual, Edition 5 (September, 1998), available at the beamline.

Also available are: the on-line version (pdf format) of the manual and searchable lists of  Denzo and Scalepack keywords.

 

Availability

Version 0.95 installed at the beamline X8C      is for processing of the data collected on ADSC CCD Quantum-4  detector systems.

Experimenters from academic and non-commercial institutions ,  may use the program for data evaluation and processing while collecting data at the beamline.

Experimenters from commercial and for-profit institutions who want to use the program for data evaluation and processing while collecting data at the beamline must have an appropriate commercial HKL license, that includes the 'synchrotron license'. The license can be obtained  from  HKL Research, Inc.

The version for data  re-processing at home labs is expected to be ready sometime in this year.