Release 717 of HKL-2000 and HKL-3000

Version 717 is the first release of HKL with an automatic mode, further simplifying the process of determining a structure. Both HKL-2000 and HKL-3000 can process and scale your data, and HKL-3000 can determine and build your structureautomatically. The "Auto" tab allows automatic indexing, integration, and scaling of data using the hkl_auto program. In benchmark tests on a batch of several thousand data sets, the automatic mode had the success rate of ~83% for indexing and integration and ~76% for space group determination (success was determined by comparison with processing reported in PDB). The automatic mode uses the CCP4 program "pointless" for final space group determination (CCP4 setup needs to be sourced before running HKL). In HKL-3000, the "Auto" feature of the Structure tab will attempt to phase your data and build your model. Please note that some formats or constructs supported in the manual mode are not yet available in the automatic mode.

Other new features of release 717 include the new options to invert beam position read from the frame header. Beam position options have been added to "Site Configuration" window in the "Advanced" tab. You may now 1) always read the beam position from the header or 2) invert it. Also, the 3D Window (the number of frames that will be processed together for indexing and integration) is now calculated based on the frame width and memory limits of the denzo_3d program.