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Running without receptor #256

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ale94mleon opened this issue Dec 5, 2023 · 1 comment
Open

Running without receptor #256

ale94mleon opened this issue Dec 5, 2023 · 1 comment

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@ale94mleon
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Hi, I am executing the following command:

vina_1.2.5_mac_x86_64 --receptor this_dir_is_empty --center_x 1.2 --center_y -5.5 --center_z -5.1 --size_x 23.7 --size_y 15.1 --size_z 25.2 --ligand ligand.pdbqt --out ligand_out.pdbqt

And it runs, although this_dir_is_emtpty is an empty dir. The same happens if I just use an empty *.pdbqt file as receptor.

I got even the poses info:

mode |   affinity | dist from best mode
     | (kcal/mol) | rmsd l.b.| rmsd u.b.
-----+------------+----------+----------
   1            0          0          0
   2    0.0001106      12.56       13.9
   3    0.0001106      14.74      16.04
   4    0.0002842      14.17      15.34
   5      0.00478      7.914      9.297
   6      0.01306      5.024      6.531
   7      0.01432      11.85      13.03
   8      0.02745      5.841      7.064
   9      0.03524      6.131      7.618

I was expecting an error.

@diogomart
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I also thought it would raise an error, but there's nothing wrong about docking into nothing.

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