How to get product, reactants etc. .NET

Hi!

How can I get (extract) reagent molecule or product molecule separately from reaction that was drawn in Marvin control?

Thanks!

Hi Jane,

It is possible by using the RxnMolecule class:

https://www.chemaxon.com/marvin/help/developer/beans/api/chemaxon/struc/RxnMolecule.html

Best regards,

Akos

Thanks!

How to set to RxnMolecule class instance the reaction that I have drawn in Marvin Control? Methods GetReactant() & GetProduct() are not overloaded? If it will be GetReactant([molecule from Marvin Control]) it's will be greate, but it is not that.

Can you help me with some example (C# )?

Thanks!

Dear Jane,

from the gui component you need to get the rxn in Molecule or string format, if you get it in string format you should import it, otherwise the only thing you need to do is to type cast the generic Molecule class returned to specific (polimorphic RXNMolecule).

string solution:

// deseriaqlize reactant molecule by ChemAxon API
_rxnMolecule = (RxnMolecule)MolImporter.importMol(_rxnData);

where 
RxnMolecule _rxnMolecule;

if you have the RxnMolecule in the memory you need to check the interface in our online documentation

https://www.chemaxon.com/jchem/doc/dev/dotnet/api/html/T_chemaxon_struc_RxnMolecule.htm

	getProduct	Gets a product.
	getProductCount	Gets the number of products.
	getProducts	Gets all products in an array.
	getReactant	Gets a reactant.
	getReactantCount	Gets the number of reactants.
	getReactants	Gets all reactants in an array.

	getAgent	Gets an agent.
	getAgentCount	Gets the number of agents.
	getAgents	Gets all agents in an array.

if you would like to write code handling the components as generic Molecules please use:

	getComponent	Overloaded.
	getComponentCount	Gets the number of reactants, products or agents.

Viktor