Package schrodinger :: Package application :: Package desmond :: Module mapper_msj_generator :: Class ProteinMapperMsjGenerator

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Class ProteinMapperMsjGenerator

        object --+    
                 |    
MapperMsjGenerator --+
                     |
                    ProteinMapperMsjGenerator

Instance Methods

__init__(self, solvent_asl=None, *args, **kw)
Valid FF : OPLS_2005 OPLS2.1 CHARMM AMBER

modify_graph_stage(self, raw)

Inherited from MapperMsjGenerator: generate_master_msj, generate_subjob_msj, get_total_proc, modify_fep_launcher_stage, modify_multisim_stage, set_16windows, set_box_buffer_width, set_coul_correction, set_cubic_box, set_ff, set_lambda_hopping, set_mapper_rules, write_complex_msj, write_master_msj, write_solvent_msj

Inherited from object: __delattr__, __format__, __getattribute__, __hash__, __new__, __reduce__, __reduce_ex__, __repr__, __setattr__, __sizeof__, __str__, __subclasshook__

Properties

Inherited from object: __class__

Method Details

init(self, solvent_asl=None, *args, **kw)
(Constructor)

Valid FF : OPLS_2005 OPLS2.1 CHARMM AMBER

Overrides: object.__init__: (inherited documentation)

modify_graph_stage(self, raw)

Overrides: MapperMsjGenerator.modify_graph_stage