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=== automatic structure solution using Auto-Rickshaw (http://www.embl-hamburg.de/Auto-Rickshaw/) === | === automatic structure solution using Auto-Rickshaw (http://www.embl-hamburg.de/Auto-Rickshaw/) === | ||
In the same way as with the peak data, Auto-Rickshaw was started. The structure could be solved but the process was laborious - take a look at the [[1rqw_arp_warp_log|Arp/Warp logfile]]! | In the same way as with the peak data, Auto-Rickshaw was started. The structure could be solved but the process was laborious - take a look at the [[1rqw_arp_warp_log|Arp/Warp logfile]]! The final model lacks residues 1, 85, 205, 206, 207 and the "core RMS" of SSM superpose, against 1rqw, is 0.15 Å (better than I would expect). | ||
It should be noted that the structure can ''not'' be solved when searching for 15 or 28 sites - rather, 20 appears to be the magic number. | It should be noted that the structure can ''not'' be solved when searching for 15 or 28 sites - rather, 20 appears to be the magic number. | ||
Once again, great job, Santosh (and of course those people who wrote the programs that Auto-Rickshaw uses)! | Once again, great job, Santosh (and of course those people who wrote the programs that Auto-Rickshaw uses)! | ||