schrodinger.application.macromodel.tools module

Useful functions for setting up MacroModel jobs.

Copyright Schrodinger, LLC. All rights reserved.

schrodinger.application.macromodel.tools.count(mae_file='')[source]

Returns the total number of structures in a Maestro file.

Uses structure.count_structures when possible.

schrodinger.application.macromodel.tools.serial_split(mae_file='')[source]

Returns a list of files generated after executing serial_split.

The user must have the utility, or this will fail. The useful bit is the returned list of file names.