MarvinSketcher Highlighter

Hi,

Are there any plans in the Marvin Sketcher to allow highlighting.

For example, where you can highlight a specific atom or atoms in the structure. This would be useful for doing specific calculations/manipulations to highlighted parts of the structure, such as calculating pKas of specific protons for instance.

 

Simon.

Currently, there is no plans...I am sorry.
However, if you use Chemical Terms Functions, you can calculate pKas of specific atom in the structure.

http://www.chemaxon.com/marvin/help/chemicalterms/EvaluatorFunctions.html#protonation_functions

Best,
Taka