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Pick Control File

The operation of Pick is determined by a control file called pick.ctl.

Reaction Selection Switch

The first line of the control file gives the reaction selection switch . This is an integer, if it is:

0 either reactant(s) or product(s) is a required specie.
1 both reactant(s) or product(s) is a required specie.
2 product(s) is a required specie.
3 reactant(s) is a required specie.
4 both reactant(s) and all product(s) are a required specie.

Reaction Rejection Switch

If the reaction selection switch is 1 then reactions with unknown products are rejected.

Reaction Databases

The remaining lines specify in pairs the input and output reaction databases. The input databases of a given reaction type are opened by pick. Those reactions that involve the list of chemical constituents specified by the user and that satisfy the reaction selection and rejection switches are selected and written to the output reaction database. The reaction database types are:

Contact the Author | 2006 David Lary