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

Class PrepLigand

object --+
         |
        PrepLigand

Instance Methods

[hide private]

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

prep(self)
Will prep ligand

set_fep_index_property(self)
This is really annoying lines 205/209 in main.py in leadopt wipe properties if they are not tagged with fep

cap(self)
Will add NME ACE caps

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, ligand)
(Constructor)

Takes a ligand fragment cut from protein

Overrides: object.__init__

Class PrepLigand

__init__(self, ligand) (Constructor)

init(self, ligand)
(Constructor)