Package schrodinger :: Package application :: Package desmond :: Module fep_protein_prep :: Class Tagger

Class Tagger

object --+
         |
        Tagger

Instance Methods

[hide private]

__init__(self, struct, atoms, mutation_number)
x.__init__(...) initializes x; see help(type(x)) for signature

tagIt(self)
Tags a structure with appropriate tags for mutation

tagSCBBatoms(self)
Tags the sidechain and backbone atoms

tagCACB(self)
Tags the CA and CB atoms with appropriate codes

tagHA(self)
Here we first check to see if there is a "CB" type and if there is then we exit.

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, struct, atoms, mutation_number)
(Constructor)

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

Overrides: object.__init__: (inherited documentation)

tagIt(self)

Tags a structure with appropriate tags for mutation

Parameters:

struct (structure object) - A structure
atoms (list) - a list of atom indices
mutation_number (int) - the mutation number

Class Tagger

__init__(self, struct, atoms, mutation_number) (Constructor)

tagIt(self)

init(self, struct, atoms, mutation_number)
(Constructor)