PRODIGY Error possible issue with ions?

PRODIGY
1

Hi

I’m getting the following error after submitting several files to PRODIGY. These responses are for the same file.

Output not found, please report this error and the id: 1748643

Output not found, please report this error and the id: 1748652

I’ve been able to submit a number of nearly identical files and have received wonderful results with PRODIGY. One difference between this file, and the other nearly identical files, is that for the files that don’t produce results, one of the molecules includes two ions (Ca2+, Zn2+; I had to edit the PDB file ion descriptor lines to include the charge [per the HADDOCK instructions on this] such that HADDOCK accepted the file for docking).

I would really like to get PRODIGY results for these files - do you have any suggestions?

NYY

2

Ions are not part of the model and not supported. Simply remove those.

3

Thank you! Will give this a try.