/ . / Trajectory / DCD / MDToolsMarch97 / md_DCD.py / DCDWrite 

Writes a DCD file. Can only append.

Data: allatoms, freeatoms.

Methods: d = DCD(dcdfile,atoms,[free],[ISTART],[NSAVC],[DELTA]) - open dcdfile dcdfile: must not exist atoms=AtomGroup: all atoms to save to the file free=AtomGroup: if there are fixed atoms, these are the free ones ISTART: first timestep NSAVC: saving frequency DELTA: timestep d.append() - append the current coordinates of atoms (free) to the file

Note: DO NOT modify atoms or free while DCDWrite is being used.

See also: AtomGroup

append ( self,  frame=None )

__init__ (
        self,
        dcdfile,
        atoms,
        free=None,
        **header,
        )

__repr__ ( self )