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double bond geometry/tautomers in .sdf file needs to be checked #2

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incoherentboy opened this issue Oct 30, 2012 · 2 comments
Open

double bond geometry/tautomers in .sdf file needs to be checked #2

incoherentboy opened this issue Oct 30, 2012 · 2 comments
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@murrayfold

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@incoherentboy
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Smiles to InChi to sdf conversion has thrown some double bonds into the wrong positions
@ghost ghost assigned murrayfold Oct 30, 2012
@mattodd
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mattodd commented May 11, 2013

Was this dealt with in the current version of the sdf file? @murrayfold ?

@murrayfold
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Everything is OK in the SDF file. I've noticed this with the InChi's before and flagged it with Chris S. He told be there shouldn't be an issues but there blatantly is. It might be to do with the way we are generating them. I'll try and find time after the meeting today to look at this

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@incoherentboy @murrayfold @mattodd