Docking2: Mismatch between score file and graph

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    • #2085

        When looking at the graphical docking output (Interface score I_sc / RMSD) the values shown when hovering over the dot do not match the values on the graph itself (see screenshot, ScoreGraph.png). The lowest scoring decoy has a I_sc of ~-6 while the value shown is -4.5. The numbers of the decoy do not match either, the lowest scoring decoy from the result list is 0927 and has a I_sc of -6.228 (which would fit the graph), but on the graph the number is 0836. In another run the values and numbers matched.
        I am using Chrome on Windows 7, the same thing occurred with Internet Explorer.
        The results from the above mentioned run:

      • #11129

          I have seen the same kind of errors in docking2 job outputs. See for details.

        • #11131

            The window that pops up when you hover the cursor over a point on an I_sc/RMSD or Score/RMSD plot could also be improved.
            I suggest adding a blank line at the top of each window so that the cursor doesn’t cover the pdb file name.

            Thanks again!

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