schrodinger.structutils.io module

This module is deprecated. Please use the classes from structure.py module.

Copyright Schrodinger, LLC. All rights reserved.

class schrodinger.structutils.io.MultiFileReader(files, ignore_errors=False, skip_receptors=False, allow_smiles=False)

Bases: object

__init__(files, ignore_errors=False, skip_receptors=False, allow_smiles=False)

Initialize self. See help(type(self)) for accurate signature.

class schrodinger.structutils.io.MultiFileWriter(*args, **kwargs)

Bases: schrodinger.structure.MultiFileStructureWriter

__init__(*args, **kwargs)

Initialize self. See help(type(self)) for accurate signature.

append(st)

close()

Close any open file handles

getFiles()

Return a list of file paths for the written files.

getNumStructures()

Return the total number of structures that were written.