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