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Generating 2D Coords does not work with 3D structures [message #1244]

Mon, 08 March 2021 11:56

richards99
Messages: 42
Registered: May 2020
Location: UK

Member

It seems that when I what to regenerate 2D coordinates for structures from Chemistry/Generate 2D Coordinates, and provide a Substructure to align too, this does not seem to work if the structures already have 3D coordinates.

Workaround currently, is I generated SMILES of these structures, do Name to Structure, and then generate 2D coordinates on these.

Simon.

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[Message index]

		Generating 2D Coords does not work with 3D structures By: richards99 on Mon, 08 March 2021 11:56
		Re: Generating 2D Coords does not work with 3D structures By: thomas on Tue, 09 March 2021 17:20

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