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Incorrect response from indigo/layout when struct in SMARTS format #471

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MagomedGasanov opened this issue Aug 11, 2021 · 0 comments
Open

Incorrect response from indigo/layout when struct in SMARTS format #471

MagomedGasanov opened this issue Aug 11, 2021 · 0 comments
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@mkviatkovskii
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@MagomedGasanov
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MagomedGasanov commented Aug 11, 2021 •
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Steps to Reproduce

  1. Execute /v2/indigo/convert with the following parameters:
    struct: struct.zip
    output_format: "chemical/x-daylight-smarts"

  2. Execute /v2/indigo/layout with the following parameters:
    struct: the struct in SMART format, that we received on step 1 (struct-in-smarts.zip)
    output_format: "chemical/x-mdl-molfile",

Expected result: the same structure as in struct.zip (struct.zip)

Actual result: struct2.zip
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@mkviatkovskii mkviatkovskii

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@mkviatkovskii @MagomedGasanov @AndreiMazol