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
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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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