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Re: Axial chirality [message #1078 is a reply to message #1066]

Wed, 16 September 2020 02:03

zhentg
Messages: 32
Registered: March 2020

Member

Thanks for your comprehensive answer.
I did not know the P/M definition before, and assigning P/M in DW really works.

However, in terms of data exchange feasibility, axial chirality can be represented in MOL format, but not in SMILES. Here you used MOL to transfer data from SDF to DW. That is a nice solution.

Datawarrior is a good tool

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[Message index]

		Axial chirality By: zhentg on Wed, 09 September 2020 02:46
		Re: Axial chirality By: nbehrnd on Fri, 11 September 2020 11:37
		Re: Axial chirality By: thomas on Sun, 13 September 2020 12:04
		Re: Axial chirality By: zhentg on Wed, 16 September 2020 02:07
		Re: Axial chirality By: thomas on Fri, 02 October 2020 11:37
		Re: Axial chirality By: zhentg on Wed, 16 September 2020 02:03

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