problem finding large no of sites in high symmetry
Hi, I am working with a data set collected in P23 space group. I am expecting 23 Se sites. Hyss gives me warning:run time error for finding large no of site. I did not interupt the run. I waited for 1hr and still it could not find sites. Shelx gave me out of 100 solutions only one had good CC and found 15 sites. IS there a way that this problem can be solved in hyss ? Thanks Banu
Hi Banu, did hyss finish without giving you consensus model? P23 is the worst space group for the fast-translation function. hyss may run for an unusually long time. The runtime warning is harmless. If you don't get outstanding correlations in one run of hyss, it may be worth running multiple jobs with different random seeds. I've also observed that the resolution cutoff can be very critical. If you point me to the data, I could run some jobs. Ralf
Hi Ralf,
Thanks for the mail. Actually I did not wait till the hyss to finish, as it took longer time I try to interupt . I tried with lower number of sites still it did run for longer time. I will try with randon seed now. The data is not that great. It is actually expected from this particular crystal and it always had low resolution limit. If not successful with randon seed I will send you the data set.
Regards
Banu
----- Original Message -----
From: "Ralf W. Grosse-Kunstleve"
Hi Banu, did hyss finish without giving you consensus model? P23 is the worst space group for the fast-translation function. hyss may run for an unusually long time. The runtime warning is harmless. If you don't get outstanding correlations in one run of hyss, it may be worth running multiple jobs with different random seeds. I've also observed that the resolution cutoff can be very critical. If you point me to the data, I could run some jobs. Ralf _______________________________________________ phenixbb mailing list [email protected] http://www.phenix-online.org/mailman/listinfo/phenixbb
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Ralf W. Grosse-Kunstleve