Interpretation of pseudo Atoms in MarvinSketch

User 050f2b66a2

19-02-2014 14:42:51

When we add a molecular formula as a PSEUDO-ATOM to a structure in Marvin Sketch 6.1.2 the Elemantal Analysis tool does not interpret this as a formula and so the Elemental Analysis Calculations cannot be used (see attached screenshot).


If we copy the structure to ACD Chemskecth (V12, July 2010), the pseudo-atom is interpreted as a formula and the Molecular Formula of the molecule is calculated correctly.


Is it possible to add this feature to MarvinSketch that Pseudo-Atoms are interpreted as formulas (if the syntax is correct). Sometimes we do not know the whole structure of a molecule, but we know parts of it. This feature would allow us to use the Elemental Analysis Feature also for those structures.


Thank You
Udo

ChemAxon 5433b8e56b

21-02-2014 17:02:01

Hi Udo,


thank you for your suggestion about this feature, we will consider it, and we will find out soon how we can handle formulas in pseudo atoms, and what does it take to develop this feature, it will take some time though.


We will keep you posted in this topic if we have further information.


Thank you for your patience in the mean time.


Regards,
Istvan