Running with --multiligs_sdf option only generate pose for the first molecule in the sdf file

biocheming / watvina

implicit or explicit water model based docking with Autodock vina engine. supporting pharmacophore /position constrained docking

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Running with --multiligs_sdf option only generate pose for the first molecule in the sdf file #5

Open okbckim opened 5 days ago

okbckim commented 5 days ago

Hi @biocheming watvina writes out OUTDIR/$BASENAME#_out.sdf. I expect each molecule in the input sdf gets its corresponding output sdf. But all output sdf files are result of the first molecule in the input sdf. Is this the expected behavior? Thank you!

biocheming commented 12 hours ago

Thanks a lot for the bug report. it is fixed.