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v3000 problem #79

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lpatiny opened this issue Oct 16, 2022 · 2 comments

lpatiny commented Oct 16, 2022

@thsa I have an issue with the following file

https://github.com/cheminfo/openchemlib-js/blob/main/examples/v3000/molfile.txt

There are some SGroup and it seems to me it is not recognized. Remove the SGroup part solve the issue.

We did the test with the last version of Openchemlib in javascript and this issue is still present.

This is related to cheminfo/openchemlib-js#140

Contributor

targos commented Oct 17, 2022

I think it's because the parser gives up as soon as it sees an unknown block:

Contributor

targos commented Oct 20, 2022

Ping @thsa

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