"v0" in blue showing up in some images

User 62a37f4796

30-07-2009 12:57:19

With the new version 5.2.3.1 there's a blue "(v0)" showing up underneath some elements (Lewis structures), but not in all. I have yet to detect a pattern as to what causes it. For instance, Li shows it, but Be does not.


I'm presuming it has something to do with valence check (v?), but I'm not sure.


What is it and how do I get rid of it?


The tag is showing up in MSketch as well as in the PNG image generated from MBeans with the MRV from MSketch. There is nothing in the MRV I can see that would specifiy this.


Any ideas?


Thanks.

ChemAxon 990acf0dec

03-08-2009 13:26:07

Hi Michiel,


I suppose you paste or import Li and Be from Smiles, using

User 62a37f4796

03-08-2009 15:13:44










akospapp wrote:

Hi Michiel,


I suppose you paste or import Li and Be from Smiles, using

  • and [Be], respectively. If you do so, it is not because of the new version; MarvinSketch behaves like this since ages (actually, since version 3.5).


    The reason why it happens is that in the past users asked to add Hydrogens automatically to alkali metals (but not to alkali earth metals), so since version 3.5 MarvinSketch do that. Now, a Hydrogen is added to Lithium if it is possible, e.g. if you type "Li" on the canvas, or add Li through the Periodic System), but since you use the baracket around Li, it defines that there is no Hydrogen on Li, and therefore valence check automatically sets its valence to zero.


    Best regards,


    Akos


     



Hi Akos,


I'll make sure to check I'm getting the MRV/XML instead of the SMILES, but the above explanation still doesn't explain why this happens on carbon or boron (see attached images). Is there a way to suppress this output?


Thanks.

ChemAxon 990acf0dec

04-08-2009 10:01:56










mvanrhee wrote:











Hi Akos,


I'll make sure to check I'm getting the MRV/XML instead of the SMILES, but the above explanation still doesn't explain why this happens on carbon or boron (see attached images). Is there a way to suppress this output?


Thanks.



Again, I suppose now you enter the SMILES #[O+] and [C][H], because if you draw these structures, the valences are not set.


Actually, this is the same situation as with Li, except I don't understand why the (v3) setting is added to Boron when this is the default valence anyway... I'll check that and come back with an answer.


A solution would be to be able to switch off the valence setting display, which was already requested by another user, but we do not have capacity to implement this feature before 5.4.


Best regards,


Akos