Q: Easy way to remove valence inf (v4) (v5) from molecule?

User 677b9c22ff

29-04-2010 00:34:01

Hi,


is there an easy way to remove the atom valence info (v4) (v5) from molecules in MVIEW?


Possibly a switch similar to implicit hydrogens?


The only way I know is to open the molecule in MSKETCH and remove the valence info.


Is there a way to do it in Standardizer (clear valence info) I could not find it.


Sometimes SDf files have those v infos attached but I want to get rid of them.


 


Thank you


Tobias

ChemAxon e08c317633

30-04-2010 08:13:50










TobiasKind wrote:

Is there a way to do it in Standardizer (clear valence info) I could not find it.



Yes, Standardizer can do this. Transform actions should be defined to remove valence info; see the attached standardizer config file, it removes v4 and v5 valences from any atom.


This feature works with Standardizer 5.3.0.1 or newer.


Zsolt

User 677b9c22ff

30-04-2010 18:22:27

Hi,


very interesting, so looking at the task I could write an A (any) atom in MSKECTH,


attach a valence info to it, draw an reaction arrow and another A atom (Any) and remove the valence info there, safe as a reaction and put into standardizer. Neat.


 


Thanks


Tobias

ChemAxon e08c317633

03-05-2010 08:49:40










TobiasKind wrote:

very interesting, so looking at the task I could write an A (any) atom in MSKECTH, ...



Hi,


You can use Standardizer (GUI) application to define such  transform. It contains an msketch, and saves the transform to a Standardizer configuration file.


Zsolt