EDock result

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silviarinaldi
Posts: 3
Joined: Mon Jun 07, 2021 9:49 am

EDock result

Post 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
xiaogenz
Posts: 139
Joined: Sun Apr 25, 2021 12:02 am

Re: EDock result

Post 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.
silviarinaldi
Posts: 3
Joined: Mon Jun 07, 2021 9:49 am

Re: EDock result

Post 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
xiaogenz
Posts: 139
Joined: Sun Apr 25, 2021 12:02 am

Re: EDock result

Post by xiaogenz »

Here is the data.
Attachments
E1033.zip
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