epam / ketcher

Web-based molecule sketcher
https://lifescience.opensource.epam.com/ketcher/demo.html
Apache License 2.0
442 stars 158 forks source link

Overlapping atoms when importing Ferrocene V3000 Molfile with zero coordinates #1814

Open flange-ipb opened 1 year ago

flange-ipb commented 1 year ago

Hello!

When importing a V3000 Molfile where all atoms have zero coordinates Ketcher tries to clean-up the structure. This is indeed a very nice feature and works well in most situations.

Unfortunately, the structure cleaning for my Ferrocene molfile leads to overlapping atoms: Screenshot 2022-11-07 at 13-54-06 Ketcher v2 6 0

Can this be improved?

Ketcher version: 2.6.0 (standalone)

AlexanderSavelyev commented 1 year ago

Unfortunately, the layout for such structures are not in a priority list and it can time some time to support metal bonds. But we will add it to our todo list of improving layout.