Module phase

Classes

DBManageStage
Stage for creating a Phase database.

DBConfSitesStage
Stage for generating conformations for structures in a Phase database.

DBExportStage
Stage for exporting structures from a Phase database.

Functions

print_last_lines_of_file(log_file)

check_subset_existence(dbpath, subsetname)
If the subset exists, returns a full subset path (absolute file path w/o the "_phase.inp" extension).

extract_properties(db, stage)
Run phase_database extract in CWD for the specified database.

Variables

__doc__ = ...

_version = "$Revision: 1.24 $"

Function Details

If the subset exists, returns a full subset path (absolute file path w/o the "_phase.inp" extension). If it does not exist, raises RuntimeError.

Variables Details

Value:

"""
Stages for managing Phase databases.

Copyright Schrodinger, LLC. All rights reserved.

"""