Dear All, Does autosol use NCS averaging in its density modification? I checked the log file for an Autosol run. It seemed Autosol used NCS in heavy atom refinement but not in the density modification procedure. But I might be wrong. If this is the case, is there a way to include NCS in autosol pipeline or do I just have to run density averaging afterward? Thanks. Nick Huang Hauptman-Woodward Institute
Hi Nick, Autosol looks for NCS in the heavy-atom sites, in the density map, and in each model that it builds, and if it finds it, then it will use it in density modification. I hope that helps! All the best, Tom T ________________________________ From: [email protected] [[email protected]] on behalf of Nick Huang [[email protected]] Sent: Tuesday, July 29, 2014 10:01 AM To: PHENIX user mailing list Subject: [phenixbb] Use of NCS in Autosol Dear All, Does autosol use NCS averaging in its density modification? I checked the log file for an Autosol run. It seemed Autosol used NCS in heavy atom refinement but not in the density modification procedure. But I might be wrong. If this is the case, is there a way to include NCS in autosol pipeline or do I just have to run density averaging afterward? Thanks. Nick Huang Hauptman-Woodward Institute
participants (2)
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Nick Huang
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Terwilliger, Thomas Charles