implicit hydrogens on nitrogen

Hi,

when drawing a nitrosonium ion, even though the nitrogen is positively charged gets back two hydrogens when redrawing/editing (and exporting the file). So this is what I see:

This is what is exported:

And deleting something in Marvin results in:

which then cannot be "used" (edited) any more since the electron arrows point to a "wrong" atom with full valence.

Bug or can I help myself with changing some setting?

Thanks,

Bernhard

Hi Bernhard,

Thank you for reporting this problem. We are investigate it. Could you send me the original mrv file please? If it confidential please send it directly to my email ([email protected]). Have you added the lone pairs manually?

Thank you,

Efi

Hi,

Find attached the mrv file. And the lone pairs came from the Marvin setting (notmanually edited or added).

Bernhard

Your problem isn't the export/import process. Any N atom with two bonds and a +1 charge should have two implicit H atoms. However, if, when you draw the nitrosonium ion, you give N the +1 charge by mousing over the N and typing +, MarvinSketch gives the N atom 0 implicit H atoms. This is a known bug; see this discussion. If instead, you add the + charge using a toolbar button, you'll see that MarvinSketch correctly adds the two implicit H atoms. When you exported and imported the MRV, MarvinSketch added the correct number of implicit H atoms to the imported drawing.

If you want to draw nitrosonium, you need to add a divalent radical flag to the N(+1) atom. Right-click on the N and choose Radical -> Divalent singlet. Then your export and import work fine.

I don't know what you mean by not being able to edit the drawing after you imported it. What electron-flow arrows point to should make no difference to whether you can edit the drawing. Can you explain exactly what you tried to do, but could not?