Package CHEM :: Package CombiCDB :: Module ReactionScreen

Module ReactionScreen

Classes

RingChangeScreen
For reaction molecule objects, determine whether a ring system was formed (or destroyed) between the reactants and products.

AromaticChangeScreen
For reaction molecule objects, determine whether any aromatic system was formed (or destroyed) between the reactants and products.

Functions

[hide private]

main(argv)
Main method, callable from command line...

Function Details

[hide private]

main(argv)

Main method, callable from command line
options include: -a --aromatic : aromaticScreen (requires a true or false option
                 -r --ringChange : ringChangeScreen (requires a true or false option and a size option
                 -t --true : true option for both screens
                 -f --false : false option for both screens
                 -s --size : size option for ringChangeScreen