Getting this error when I try to load my ligand in AutoDockTools version 1.5.7

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technical question

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Hi so I am working with 3DTC protein in autodock and I am preparing it for docking the VIN ligand. However upon loading my ligand (ligand>open>VIN.pdbqt) it shows this error:

forcing addition of gasteiger charges to molecule with all zero charges

2VIN substrate: :UNL1:C and 2VIN substrate: :UNL1:C have the same coordinates

ERROR \*********************************************

and

raise ZeroDivisionError("Input used:", a, b, c)

ZeroDivisionError: ('Input used:', [21.098, -24.939, 2.418], [21.098, -24.939, 2.418], [21.098, -24.939, 2.418])

It also loads weirdly, and does not load bonded with the 3DTC protein: https://imgur.com/IySEam8

I have tried re-obtaining my ligand and protein file but I get the same error.

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prionprion

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Posted: 1 year ago
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