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
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