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

Class Ct

object --+    
         |    
    Handle --+
             |
            Ct

Instance Methods

[hide private]

data(self)

remove(self)
remove this Ct from the System

addChain(self)
append a new Chain to this Ct and return it

chains(self)
list of Chains in this Ct

nchains(self)
number of Chains in this Ct

natoms(self)
number of Atoms in the Ct

atoms(self)
list of Atoms in this Ct

bonds(self)
list of Bonds in this Ct

append(self, system)
Appends atoms and forcefield from system to self.

name(self, s)

keys(self)
available Ct properties

__setitem__(self, key, val)
set ct property key to val

__getitem__(self, key)
get ct property key

__delitem__(self, key)
remove property key

get(self, key, d=None)
get ct property key, else d, which defaults to None

Inherited from Handle: __eq__, __hash__, __init__, __ne__, id, system

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

Properties

[hide private]

Inherited from object: __class__

Method Details

[hide private]

chains(self)

list of Chains in this Ct

Decorators:

@property

nchains(self)

number of Chains in this Ct

Decorators:

@property

natoms(self)

number of Atoms in the Ct

Decorators:

@property

atoms(self)

list of Atoms in this Ct

Decorators:

@property

bonds(self)

list of Bonds in this Ct

Decorators:

@property

append(self, system)

Appends atoms and forcefield from system to self. Returns a list of of the new created atoms in self. Systems must have identical nonbonded_info.vdw_funct. Does not overwrite the global cell information in self.

name(self, s)

Decorators:

@name.setter