Member Site Forums Rosetta 3 Rosetta 3 – General low resolution blind protein-protein docking with a ligand Reply To: low resolution blind protein-protein docking with a ligand


    “We did inadvertently compile in debug mode [this is was the first time we’d ever built Rosetta] & were so anxious to use it, that we left it at that rather than do it again. It may be time to redo & update while we’re at it.”

    You should get a 10x or better performance increase off-the-bat from release mode. I won’t say who, but there are big names in the field who’ve been bitten by this issue. I guess we need to publicize it better…

    You can lie about the extension: if your file is “log.gz”, rename it “log.gz.txt” and the attacher will allow it.

    You don’t need to post the log for now; this is enough information to demonstrate that you are clearly reaching the fullatom part of the protocol. I was concerned that you had a weird bug where the centroid ligand was causing a problem.

    It is challenging to diagnose WHERE it is spending the extra time; let’s see if release mode fixes the problem before we try harder.