Package schrodinger :: Package application :: Package bioluminate :: Module protein_protein_docking_shared :: Class PIPERConstraint
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Class PIPERConstraint

object --+
         |
        PIPERConstraint

Container for managing constraints

Instance Methods [hide private]
 
__init__(self, asl=None, constraint_type=None, protein_type=None, attraction=None)
x.__init__(...) initializes x; see help(type(x)) for signature
 
__str__(self)
str(x)
 
setResidues(self, st_file)
Uses self.asl with st_file and to set the commandline_residues property.

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

Static Methods [hide private]
 
read_constraints_file(fname)
Reads a constraints file and returns the python representation as loaded from the json module.
 
write(constraints, ofile)
Writes a list of constraints to a JSON formatted file.
Class Variables [hide private]
  ATTRACTION = 'attraction'
  REPULSION = 'repulsion'
  RECEPTOR = 'receptor'
  LIGAND = 'ligand'
  ANTIBODY = 'antibody'
  ANTIGEN = 'antigen'
Instance Variables [hide private]
  commandline_residues
Property holding the list of strings that can be added to a command line list to identify residues in attraction/masking scripts.
Properties [hide private]

Inherited from object: __class__

Method Details [hide private]

__init__(self, asl=None, constraint_type=None, protein_type=None, attraction=None)
(Constructor)

 

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

Overrides: object.__init__
(inherited documentation)

__str__(self)
(Informal representation operator)

 

str(x)

Overrides: object.__str__
(inherited documentation)