Package schrodinger :: Package application :: Package desmond :: Module covalent_fep_prep :: Class ProcessProteins

Class ProcessProteins

object --+
         |
        ProcessProteins

The idea here is to use the mapping generated from the ligands to generate mae's for the complex. If we keep the dummy receptor ct as the first ct we can run both legs using the solvent.msj

Instance Methods

[hide private]

__init__(self, proteins)
Takes a ligand fragment cut from protein

get_root_name(self, lig_mae)

prep_all(self)

generate_mae(self, lig_mae)

get_protein_pairs(self, lig1, lig2)

tag_protein(self, lig, prot)

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, proteins)
(Constructor)

Takes a ligand fragment cut from protein

Overrides: object.__init__

Class ProcessProteins

__init__(self, proteins) (Constructor)

init(self, proteins)
(Constructor)