Package schrodinger :: Package application :: Package desmond :: Module stage :: Class WaterMapAnaJob

Class WaterMapAnaJob

object --+    
         |    
   cmj.Job --+
             |
            WaterMapAnaJob

Nested Classes

[hide private]

Inherited from cmj.Job: Time

Instance Methods

[hide private]

__init__(self, output_file, cluster_file, ligand_file, protein_file, water_file, input_cms, input_trj, do_not_return_trajectory, cavity, cavity_cns, hbond_stat, ene, ligand_distance=10.0, sampling_freq=50, hs_radius=1.0, *arg, **kwarg)
x.__init__(...) initializes x; see help(type(x)) for signature

__getstate__(self, state=None)

run(self)

read_cluster_file(self)

get_translation_vector(self)

average_cavity(self)

average_cavity_cns(self)

average_hbond(self)

average_energy(self)

transform_watermap(self)

write_watermap(self)

decorate_watermap(self)

calculateAverageDipole(self)

calculateWaterMapDensity(self)

transformWaterMapTrajectory(self)

writeHSWater(self)

writeFrameWater(self)

writeGridData(self)

Inherited from cmj.Job: __deepcopy__, __setstate__, __str__, describe, finish, launch, update

Inherited from cmj.Job (private): _host_str, _log, _print

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