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 from the Help -> Python Module Overview… link in Maestro, or from the $SCHRODINGER/docs/python_api/overview.html file.

If you have questions about the API, please contact us at help@schrodinger.com.

schrodinger.version_at_least(v)

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

schrodinger.version_at_most(v)

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

schrodinger.version_compatible(minimum, maximum)

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()

Return release name.

Current use of the release name is to specify a release-specific subdirectory in the user application data directory.

schrodinger.get_mmshare_version()

Return the mmshare version as a 5 digit integer.

schrodinger.get_maestro()

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. :return: schrodinger.maestro.maestro or _DummyMaestroModule

exception schrodinger.MaestroNotAvailableError

Bases: ImportError

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

schrodinger.get_mpl_backend_name()

Get the matplotlib backend name to use with pyplot.

schrodinger.in_dev_env()

Return True if the process is running in a development environment - where SCHRODINGER_SRC or SCHRODINGER_DEV_DEBUG is set.

Subpackages