Package schrodinger :: Package application :: Package desmond :: Module replica_sid_generator :: Class FEPReport

Class FEPReport

object --+
         |
        FEPReport

Instance Methods

[hide private]

__init__(self, basename=None, sid_file=None)
x.__init__(...) initializes x; see help(type(x)) for signature

load_all(self)

export(self)

ark_str(self, str_in)
sanitize ARK string, by removing the doubleqotes

submit_analysis_calculations(self)
This method submits SID analysis to the backend

gen_analysis_fn(self, lig_rep)
This method generates an analysis input file

find_ligands(self)

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

Properties

[hide private]

Inherited from object: __class__

Method Details

[hide private]

init(self, basename=None, sid_file=None)
(Constructor)

x.__init__(...) initializes x; see help(type(x)) for signature

Overrides: object.__init__: (inherited documentation)

gen_analysis_fn(self, lig_rep)

This method generates an analysis input file

Parameters:

lig_rep (LigandReport) - LigandReport object

Class FEPReport

__init__(self, basename=None, sid_file=None) (Constructor)

gen_analysis_fn(self, lig_rep)

init(self, basename=None, sid_file=None)
(Constructor)