MarvinSketcher Highlighter

#1

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.

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#2

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
 

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