schrodinger package

This is the top level package for all Schrodinger modules.

The main modules of interest are schrodinger.structure and the ones in the schrodinger.structutils package.

The Python Module Overview included with the Schrodinger distribution gives an expository introduction to the Schrodinger Python API. It is available at

If you have questions about the API, please contact us at


Check that the Schrodinger python version is at least the value ‘v’. NOTE: Deprecated in favor of get_mmshare_version()


Check that the Schrodinger python version does not exceed ‘v’. NOTE: Deprecated in favor of get_mmshare_version()

schrodinger.version_compatible(minimum, maximum)[source]

Check that the version is between minimum and maximum values. NOTE: Deprecated in favor of get_mmshare_version()

If the current Schrodinger python version is less than the minimum, an Exception will be raised. If the current version is greater than the maximum, a warning will be issued.

schrodinger.get_release_name() → str[source]

Return descriptive text name of the current release.

schrodinger.get_mmshare_version() → int[source]

Return the mmshare version as a 5 digit integer.


Get either schrodinger.maestro.maestro or an object that allows scripts to avoid running maestro dependent-code, and print reasonable errors if that code is run outside of maestro.


schrodinger.maestro.maestro or _DummyMaestroModule

exception schrodinger.MaestroNotAvailableError[source]

Bases: ImportError

Error class to indicate that Maestro is not available and there was an attempt to use it.

__init__(*args, **kwargs)

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


exception message


module name


module path


Exception.with_traceback(tb) – set self.__traceback__ to tb and return self.

schrodinger.get_mpl_backend_name() → str[source]

Get the matplotlib backend name to use with for drawing plots.