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Published 20 hours ago • verified publisher icon Acellera

OpenBabel warning

Open ndnng opened this issue 3 years ago • 1 comments

Whenever I run getVoxelDescriptors I got OpenBabel warning. I tried to install the older version of OpenBabel but it's deprecated, so I stick with the newest one.

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ndnng avatar Sep 07 '21 22:09 ndnng

Hi sorry for the very late reply! I somehow missed this issue. Did you manage to get the desired results from the function in the end regardless of warnings?

stefdoerr avatar Oct 11 '21 15:10 stefdoerr

The warning still exists but we don't care much about kekulization of proteins as long as they are marked as aromatic.

stefdoerr avatar Oct 20 '22 06:10 stefdoerr