Include LockSmith Parameter Block

LockSmith Object

identifier

The LockSmith Object is the name of the LockSmith activity-weighted consensus map that is currently under development by the model. This parameter also is a unique identifier for the model. It is specified in the LockSmith Open command.

HintGrid Source

enumerated choices: {From_Grid_Object|From_File}

The HintGrid Source parameter specifies where the HintGrid for the molecule is to be found. The options are:

From_Grid_Object is chosen if the molecule's HintGrid is a currently active InsightII grid object.

From_File is chosen if the molecule's HintGrid is in a disk file.

Grid Object Name

identifier

The Grid Object Name parameter specifies the InsightII grid object to be used in the command. Each grid object has a name which is assigned either when it is created or when it is read from an external file.

Grid File Name

long text

The Grid File Name is the name of a disk file containing the HintGrid that is to be used in the command.

Molecule Activity

real number

The Molecule Activity parameter designates the raw biological activity for the molecule to be Included by the command. It is modified by the equation selected by the LockSmith Activity command to calculate the Fnctnalized Activity.

Fnctnalized Activity

real number

The Fnctnalized Activity parameter lists the calculated LockSmith functionalized activity for the molecule. In general, this parameter is provided for information purposes only and should not be modified by user input.