format conversion using OpenBabel
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29 days ago

I want to convert several molecules from sdf format to pdbqt using OpenBabel-

However, I can´t find pdbqt format in the output format options (nor in the input).

I tried reinstalling MGLTools, as it has AutoDock, but remains unchanged,

any ideas what can be happening?

or other resources where I can carry the conversion?

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Entering edit mode
29 days ago
Mensur Dlakic ★ 11k

It says clearly on their web page that sdf and pdbqt are among supported formats. If you can't do it directly, try converting sdf -> pdb followed by pdb -> pdbqt.

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Thx @MensurDlakic for your answer. I know it´s supported, hence my question.

I already fixed it, installing a previous version of openbabel. Maybe some backup problem with autodock?

Anyway, done!

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