4.2 Example Executions

This section has a series of example writedict command-line executions. Each example is followed by a brief description of its behavior.

prompt> writedict -in 1A28/ligand.pdb -out ligand_refine

This usage generates a pdb file named ``ligand_refine.pdb'' and a cif dictionary file named ``ligand_refine.cif''

This is the recommended usage for writedict.

prompt> writedict -in 1A28/ligand.pdb -out ligand_refine \
                         -includeRotors false

This disables rotor torsions so that they are fixed during refinement.