Running multiple Reactions

User 9fa69eb201

25-10-2007 05:53:51

Dear All,





Can you briefly guide me in following problem.





Input : 1) I have ten types of reactions in RXN format.


2) For each of the above ten RXN files i have the respective reactants


and products as separate files in smiles format.


Ouput: I want to run the reactor on the above files to obtain products


separately for each reaction.





I am running each RXN as separate command. Can i do this with a single command. Please provide me with any example or guide me to any URL which explains this better.





Thanking you in advance





Anil

ChemAxon d76e6e95eb

25-10-2007 11:13:43

You can easily write a simple application using the Reactor API that can combines multiple reactions and reactants according to your specific needs. The APIDoc contains some examples demostrating the use of the Reactor class.