Module: Molecule Interpreter ()

Description:

This module offers several tcl commands for creating molecules from amino acid one and three letter code, creating molecules from SMILES string, and to load an entry with the given id.

Commands:

fromPDB <PDB id>
Will load an entry with the given id from the protein data bank. Example:

fromPDB 1hvr 

fromSmiles <SMILES string>
Creates a molecule from SMILES string. Smiles string can contain characters which will be interpreted as special characters by the Tcl parser. It is, therefore, safer to enclose the string in curly brackets. Example:

fromSmiles {C(=O)=O} 

fromAACode1 <code1>
Parses a string of amino acid one letter code and creates a molecule. Example:

fromAACode1 LSAPG 

fromAACode3 <code3>
Parses a string of amino acid three letter code and creates a molecule. Example:

fromAACode3 LYSSERALAPROGLY