Uni-Dock
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Unknown order of ligands in the output
When running the docking with multiple outputs unidock outputs multiple result tables like this:
mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -3.831 0 0 2 -3.684 2.658 6.848 3 -3.666 1.701 2.356 4 -3.461 3.342 4.128 5 -3.41 2.555 6.048 6 -3.383 2.074 2.804 7 -3.359 3.107 5.498 8 -3.341 1.6 2.038 9 -3.341 3.783 7.032 10 -3.332 2.471 3.668
mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -3.602 0 0 2 -3.481 4.375 6.457 3 -3.376 4.149 9.279 4 -3.324 2.386 4.355 5 -3.202 3.606 7.047 6 -3.116 2.965 5.111 7 -3.079 3.967 5.011 8 -2.991 3.042 6.707 9 -2.96 3.275 5.307 10 -2.871 2.056 4.129
mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -2.309 0 0 2 -2.189 4.699 7.688 3 -2.072 2.906 6.371 4 -1.944 3.511 4.752 5 -1.935 3.505 5.306 6 -1.929 3.16 5.741 7 -1.877 2.258 3.72 8 -1.871 2.779 4.678 9 -1.853 3.128 6.29 10 -1.838 3.744 7.309 poses saveing time: 16 Batch 1 running time: 2777ms
My question is: does the first table correspond to the first ligand in the unidock command or is there a decided order by unidock?