Package schrodinger :: Package application :: Package desmond :: Package packages :: Package msys :: Class Residue

Class Residue

object --+    
         |    
    Handle --+
             |
            Residue

Represents a residue (group of Atoms) in a System

Instance Methods

[hide private]

__repr__(self)
repr(x)

data(self)

remove(self)
remove this Residue from the System

addAtom(self)
append a new Atom to this Residue and return it

selectAtom(self, name=None)
Returns a single Atom from this residue with the given name, or None if no such atom is present.

Inherited from Handle: __eq__, __hash__, __init__, __ne__

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

Properties

[hide private]

atoms
list of Atoms in this Residue

natoms
number of atoms in this residue

chain
parent chain

resid
the PDB residue identifier

name
residue name

insertion
insertion code

center
return geometric center of positions of atoms in residue

Inherited from Handle: id, system

Inherited from Handle (private): _id, _ptr

Inherited from object: __class__

Method Details

[hide private]

repr(self)
(Representation operator)

repr(x)

Overrides: object.__repr__: (inherited documentation)

selectAtom(self, name=None)

Returns a single Atom from this residue with the given name, or None if no such atom is present. If multiple atoms in the residue have that name, raise an exception.

Property Details

[hide private]

atoms

list of Atoms in this Residue

Get Method:: unreachable.atoms(self) - list of Atoms in this Residue

natoms

number of atoms in this residue

Get Method:: unreachable.natoms(self) - number of atoms in this residue

chain

parent chain

Get Method:: unreachable.chain(self) - parent chain
Set Method:: unreachable.chain(self, chn)

resid

the PDB residue identifier

Get Method:: unreachable.resid(self) - the PDB residue identifier
Set Method:: unreachable.resid(self, val)

name

residue name

Get Method:: unreachable.name(self) - residue name
Set Method:: unreachable.name(self, val)

insertion

insertion code

Get Method:: unreachable.insertion(self) - insertion code
Set Method:: unreachable.insertion(self, val)

center

return geometric center of positions of atoms in residue

Get Method:: unreachable.center(self) - return geometric center of positions of atoms in residue

Class Residue

__repr__(self) (Representation operator)

selectAtom(self, name=None)

atoms

natoms

chain

resid

name

insertion

center

repr(self)
(Representation operator)