Hi Nick, Can you provide an example of exactly what you would like to have happen?
-greg On Tue, Jan 30, 2024 at 5:46 PM Tomkinson, Nicholas < nick.tomkin...@astrazeneca.com> wrote: > I am trying to convert a simple V2000 molfile with or without the chiral > flag into a V3000 molfile but this does not create an enhanced stereo > collection in the V3000 molfile. This is a requirement for another > application that does not handle V2000/V3000 mixtures well. Is there anyway > of forcing the writing of the enhanced collection in this context? > > > > Thanks > > > > Nick > > > ------------------------------ > > AstraZeneca UK Limited is a company incorporated in England and Wales with > registered number:03674842 and its registered office at 1 Francis Crick > Avenue, Cambridge Biomedical Campus, Cambridge, CB2 0AA. > > This e-mail and its attachments are intended for the above named recipient > only and may contain confidential and privileged information. If they have > come to you in error, you must not copy or show them to anyone; instead, > please reply to this e-mail, highlighting the error to the sender and then > immediately delete the message. For information about how AstraZeneca UK > Limited and its affiliates may process information, personal data and > monitor communications, please see our privacy notice at > www.astrazeneca.com > _______________________________________________ > Rdkit-discuss mailing list > Rdkit-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss >
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