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Re: 3-D structures vs descriptors [message #1469 is a reply to message #1459]

Tue, 11 January 2022 17:00

thomas
Messages: 729
Registered: June 2014

Senior Member

Hallo Christophe,

you don't need conformers for any of the descriptors or any descriptor based calculations. The only descriptor that needs 3D-structures is the flexophore, but it generates them internally. Typically, if a functionality requires 3D-atom-coords, which are not there,then it will show a dialog asking you to generate conformers.

Thomas

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		3-D structures vs descriptors By: Christophe on Tue, 04 January 2022 15:13
		Re: 3-D structures vs descriptors By: thomas on Tue, 11 January 2022 17:00

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