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InChI 1.07 polymer question - InChI to Polymer transfer problems in 1.07 (but not 1.06) #68

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gblanke02 opened this issue Nov 12, 2024 · 1 comment
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@gblanke02
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Hello Gerd,

We are testing integration of InChI 1.07 in our drawing software and detected that for 1.07
we have problems to convert polymer InChI to structure.
For 1.06 it works OK but not for 1.07.
Can you or somebody check it and tell is there any changed from 1.06 to 1.07 concerning such conversion.
For example for
InChI=1B/C8H18O/c1-3-5-6-8-9-7-4-2/h3-8H2,1-2H3/z101-6,8-9(7-9,5-6)
and
InChI=1B/C3H6OZz2/c5-3-1-2-4-6/h1-3H2/z101-1-4(6-4,5-3)

I tried to check in InChI Web Demo, but for polymer InChI both for 1.06 and 1.07 the log is:
Input format: InChI (plain identifier)
Output format: Plain text
Aux. info suppressed
No timeout
Up to 1024 atoms per structure

Structure: 1 Skipping polymer InChI (only conversion to Molfile is available, use OutputSDF option)
Best wishes,
Andrey

@gblanke02
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gblanke02 commented Nov 12, 2024

See the related issue of Greg #67 .

@djb-rwth djb-rwth added the bug Something isn't working label Nov 12, 2024
@gblanke02 gblanke02 self-assigned this Nov 12, 2024
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