Get SMILES Parameter Block

SMILES File

long text

The SMILES File parameter specifies the file name of an input disk file containing one or more SMILES strings to be retrieved.

Structures

enumerated choices: {All|Specified}

The Structures parameter designates which molecules are to be retrieved from the SMILES File for the command. The options are:

All retrieves every molecule from the SMILES File.

Specified retrieves only molecules that have names matching the Specification parameter from the SMILES File.

Specification

short text

The Specification parameter designates the name or names of molecules to be retrieved from the SMILES File. Standard InsightII wildcards can be used in the specification; e.g., *cyclo*, benz*, etc.

Asymmetric SMILES

on/off

The Asymmetric SMILES parameter specifies whether the Daylight SMILES interpreter is to use asymmeteric notations (i.e., stereochemical configurations are to be included.) In most cases this is unnecessary, and InsightII provides tools to determine and/or correct steroechemical configuration if required.