Package schrodinger :: Package application :: Package desmond :: Package packages :: Package msys :: Module _msys :: Class HydrogenBond

[frames] | no frames]

Class HydrogenBond

 object --+    
          |    
??.instance --+
              |
             HydrogenBond

Instance Methods

[hide private]

__init__(...)
__init__( (object)arg1, (object)d, (object)a [, (object)h=None [, (object)c=None [, (object)ca=None]]]) -> object : Constructor: supply donor, acceptor and hydrogen positions

__reduce__(...)
helper for pickle

__repr__(self)
repr(x)

Inherited from unreachable.instance: __new__

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

Properties

[hide private]

acceptor
Acceptor atom id

donor
Donor atom id

energy
Stride hbond energy function

p
donor-hydrogen-acceptor angle in radians

r
donor-acceptor distance

ti
out-of-plane deviation of H from lone-pair plane

to
within-plane deviation of H from lone-pair bisector

Inherited from object: __class__

Method Details

[hide private]

init(...)
(Constructor)


__init__( (object)arg1, (object)d, (object)a [, (object)h=None [, (object)c=None [, (object)ca=None]]]) -> object :
    Constructor: supply donor, acceptor and hydrogen positions

    C++ signature :
        void* __init__(boost::python::api::object,_object*,_object* [,_object*=None [,_object*=None [,_object*=None]]])

Overrides: object.__init__

reduce(...)

helper for pickle

Overrides: object.__reduce__: (inherited documentation)

repr(self)
(Representation operator)

repr(x)

Overrides: object.__repr__: (inherited documentation)

Property Details

[hide private]

acceptor

Acceptor atom id

Get Method:: unreachable(x)

donor

Donor atom id

Get Method:: unreachable(x)

energy

Stride hbond energy function

Get Method:: unreachable(...)

p

donor-hydrogen-acceptor angle in radians

Get Method:: unreachable(...)
Set Method:: unreachable(...)

r

donor-acceptor distance

Get Method:: unreachable(...)
Set Method:: unreachable(...)

ti

out-of-plane deviation of H from lone-pair plane

Get Method:: unreachable(...)
Set Method:: unreachable(...)

to

within-plane deviation of H from lone-pair bisector

Get Method:: unreachable(...)
Set Method:: unreachable(...)

Class HydrogenBond

__init__(...) (Constructor)

__reduce__(...)

__repr__(self) (Representation operator)

acceptor

donor

energy

p

r

ti

to

init(...)
(Constructor)

reduce(...)

repr(self)
(Representation operator)