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Actelion / openchemlib

Open source Java-based chemistry library
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v3000 problem #79

Open lpatiny opened 1 year ago

lpatiny commented 1 year ago

@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 https://github.com/cheminfo/openchemlib-js/issues/140

targos commented 1 year ago

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

image
targos commented 1 year ago

Ping @thsa