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compare performance with autodock-based blind docking #9

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NiklasTR opened this issue Jul 5, 2022 · 0 comments
Open

compare performance with autodock-based blind docking #9

NiklasTR opened this issue Jul 5, 2022 · 0 comments
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@NiklasTR @kjwallace

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@NiklasTR
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NiklasTR commented Jul 5, 2022

  1. convert pdb files to pdbqt files using openbabel or an alternative tool

openbabel gists from other sources include

obabel *.pdb -opdbqt -m --gen3d best -p
obabel example.pdb -xr -xn -O example.pdbqt
  1. run achilles server and see docking results
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9-compare-performance-with-autodock-based-blind-docking labdao/equibind
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@NiklasTR @kjwallace