You can also cross-check with standard InChI to see if this is an RDKit
issue or a more general InChI issue. To convert InChI strings (and
optionally AuxInfo) to SDF format with the standard inchi-1 executable,
put the InChI string and AuxInfo into a text file and convert it like this.
P:\Proj
Perhaps provide some examples were this failure happens.
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On Tue, Nov 28, 2023 at 7:35 PM 李大舟 wrote:
> Dear RDKit Developers and Maintainers,
>
> I hope this email finds you well. My name is Dr. Dazhou Li, and I am a
> researcher working on the development of a tool for e
Dear RDKit Developers and Maintainers,
I hope this email finds you well. My name is Dr. Dazhou Li, and I am a
researcher working on the development of a tool for extracting chemical
compound structures recognized by OCR (Optical Character Recognition)
technology. I have been using the RDKit li
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