Ulrich Schatzschneider

Results 112 comments of Ulrich Schatzschneider

Fixed by addition of +1 charges to each nitrogen atom: ![Image](https://github.com/user-attachments/assets/03c7f329-60f8-4ce3-9c4b-6e7019d50c3a) If only one nitrogen atoms is charged, there is still one "hallucinated" hydrogen: ![Image](https://github.com/user-attachments/assets/a4ab32ce-9864-4129-b7e9-77364fb4fb2f)

Correct NHC Pt complex now with 13H forced by +1 charge on central ring N atom: ![Image](https://github.com/user-attachments/assets/18548128-f1f7-4234-8198-bb8de4c2703c)

So maybe the "NHC problem" can be solved with a "drawing inorganic structures" guideline document?!?

What remains is the extremely distorted look of the sandwich complexes, since both Ketcher and consequently Chemotion seem to be unable to properly handle the "multi-attachment" statement of the molfile...

However, the multi-attachment statement in a v3000 molfile like `M V30 21 1 22 11 ENDPTS=(5 1 5 2 4 3) ATTACH=ANY` can easily be replaced by standard single/simple bonds,...

And to resolve the problem with the highly distorted display in particular of sandwich complexes might be solved but more detailed examination of what the *.svg generation does: https://github.com/ComPlat/chemotion_ELN/blob/e71870723bd4fbbef42375aad08daf4101db166d/app/models/molecule.rb#L255

Just another example of the "hallucinated hydrogens" - in this case even six too much (30 instead of 3 x 2 x 4 = 24) due to presence of six...

Final proof that the "hallucinating hydrogen" bug is due to handling of non-standard valence of nitrogen of four (instead of three): Trimethylamine incorrect sum formula +1H: ![Image](https://github.com/user-attachments/assets/b91153af-c7b2-4a21-9efe-b478aeddb47d) Correct sum formula...

@evelineJa > I also do have an extra H in my mass of inorganic compounds. Could you please post a screenshot of the Lewis formula of your compound and -...

Instead of opening a separate issue, I have an additional suggestion with regard to the inventory information list: Currently, there are three date fields: - required date - ordered date...