Ticket #7168 (closed: duplicate)
Add configuration parameters to SCD reduction scripts
Reported by: | Dennis Mikkelson | Owned by: | Dennis Mikkelson |
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Priority: | major | Milestone: | Release 2.6 |
Component: | Framework | Keywords: | |
Cc: | mikkelsonr@…, petersonpf@… | Blocked By: | |
Blocking: | Tester: | Peter Peterson |
Description
In order to work properly for both macro molecule (protein) data and small molecule data, the script ReduceOneSCD_Run.py, needs to include a configuration parameter for the max |Q| to use in the call to ConvertToMD. This configuration parameter should replace the hard coded constants of +-50 for min and max values. The MaxRecursionDepth should also be made into a configuration parameter, with a default of 13, to deal with higher resolution data.
Change History
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This ticket is a duplicate of ticket #7238. Work on #7238 has now been completed and that ticket is ready for testing.