Open ale94mleon opened 7 months ago
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.
this_dir_is_emtpty
*.pdbqt
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.
I also thought it would raise an error, but there's nothing wrong about docking into nothing.
Hi, I am executing the following command:
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:
I was expecting an error.