Bug with Sn atom

User 8139ea8dbd

15-12-2015 03:43:44

This bug exists in both Marvin JS and Marvin Applet.


Draw the structure on the left, convert it to MOL, paste the MOL onto the right.  The right structure now has v2 on Sn atom, which causes missed hits in later substructure search (Sn should have v4).

ChemAxon 76c88f5366

16-12-2015 09:07:59

Hi, 


This is, because of the MOL file molecule representation. You can read more about this here: https://docs.chemaxon.com/display/docs/Default+valence+of+metal+atoms


You can change the 'v' value from 2 to 4
- In Marvin Sketch : from the Atom menu or Atom pop-up menu by setting the Valence 4.


- In Marvin JS : from Atom properties dialog by setting Bond orders(v) value to 4.


I hope this will help.


Best regards,
Eszter