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EDock result

Posted: Wed Oct 13, 2021 10:20 am
by silviarinaldi
Good Morning, I cannot access my job results (E1033) using the link you sent me (I got this: ERROR! NO XSCORE results ). Could you please check if any errors occurred and send me a new link? Thanks in advance, Silvia

Re: EDock result

Posted: Fri Oct 15, 2021 8:02 pm
by xiaogenz
Thank you for your question. We have check the docking program and the last step by Xscore was broken. The docking scores for binding poses evaluating by XSCORE were not returned. Currently, we pack the binding pose file by SPICKER cluster algorithm. In the result file, the binding sites were save in "coach_cluster.dat" and the final docking result was "site1_closc.mol2" file. We hope they are helpful for your project.

Re: EDock result

Posted: Tue Oct 19, 2021 12:15 pm
by silviarinaldi
Thank you very much for your help. Could you please send me a link where I can find this material? Thanks in advance, Silvia

Re: EDock result

Posted: Wed Oct 20, 2021 12:34 am
by xiaogenz
Here is the data.