ComPlat / chemotion_REPO

Repository for samples, reactions and related research data
https://www.chemotion-repository.net
GNU Affero General Public License v3.0
12 stars 2 forks source link

chemical structures miss their bonds (and carbons) after transfer to Chemotion Repository #86

Open tilfischer opened 8 months ago

tilfischer commented 8 months ago

Dear all,

this is somehow connected to something mentioned at the end of https://github.com/ComPlat/chemotion_ELN/issues/1644 but I now also faced this issue in Chemotion Repository.

I assigned a sample in Chemotion ELN to chemotion-repository.net and transferred the data. Then, I had a look on the sample in Chemotion Repositor, but the bonds (and carbons) of this molecule are gone:

Screenshot 2024-03-15 120129

A workaround is to open the structure with Ketcher and press "save":

Screenshot 2024-03-15 120453

This is feasible for one sample, but not that pretty for 100 samples and reactions. Consequently, this needs a fix.

Best, Tillmann