View Partition SMILES Dialog

Partition SMILES Dialog


SMILES Source
radio button set: {From Keyboard String|From File}
The SMILES Source parameter specifies where the input SMILES string will be found. The choices are:

From Keyboard String means that the SMILES string will be read directly from keyboard entry.

From File means that the SMILES string(s) will be read from a specified disk file.

SMILES String
field
The SMILES_String parameter is the input for keyboard-entered strings. The SMILES string is a compact representation of atom-types and bond connectivity developed by D. Weininger. See the Theory chapter for more information.
SMILES File
field and push button
The SMILES File parameter specifies the file name of an input disk file containing one or more SMILES strings to be retrieved. Press the push button to obtain a file list dialog.