Hi Jobi, you should limit the number of sculptor protocols you use (default: all, i.e. 13). When MRage processes your HHPRED search, it will convert each template structure to 13 models, and this is quite many (this seemed like a good idea when I played with this initially, but with more experience, I would possibly change the limit to one protocol or a selection of the most diverse protocols). The keyword for this is "sculptor_protocols" (for some reason, I do not see it in the GUI, but I will make sure it shows up in the next version), and you can just set it to the protocols you want; protocol 1 is the sculptor default, and there is a keyword "minimal" for the 3 most diverse ones. As for what MRage is doing, this should be in the logfile (this is also available from the GUI). Just search for "Summary of searches", and you get a table for each one-model extension. The logfile is indeed a bit too verbose right now, and we are thinking of ways of making it more readable (or more representable through the GUI). BW, Gabor On 2014-03-17 03:33, Jobichen Chacko wrote:
Dear All, I am running a molecular replacement using MRage program for almost 1 week with 4 threads, but yet to finish the run. I am using Phenix Version dev-1549
I am having a pretty big protein (around 100 KDa).
I gave data file, sequence file, one model pdb and output from HHpred as input.
Is there anyway to to find out when it is going to finish the run, or I can extract any information from the current run, if I manually end the run?
Thank you.
Jobi
_______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb