Module vswinput

Class for writing VSW (not general Pipeline) input files.

Classes

VSWWriter
Use writeInputFile() method

Functions

parse_command_line()
Returns the path to input file, as determined from command line option parser.

Variables

DEBUG = False

logger = log.get_output_logger("vswinput")

VSW_COMPOUNDFIELD = 's_vsw_compound_code'

GPHDB_COMPOUNDFIELD = 's_m_title'

VARIANTFIELD = 's_vsw_variant'

PHASEDB = 'PhaseDB'

STRUCTURES = 'Structures'

GRID = 'Grid'

__package__ = 'schrodinger.application.vsw'