VMD User's Guide

• setFrame(frame): Set the coordinate frame to the given value. Must be in the range [0,numFrames())• curFrame(): Returns the current coordinate frame for the molecule.• delFrame(first=0, last=-1, step=1):Deletes the given range of frames.• dupFrame(frame = None): Duplicate the given frame, apending it to the end. if frame isNone then the current frame is used.• numReps():Returns the number of molecular representations (reps) in the given molecule.• reps():Returns a list of MoleculeRep objects, one for each rep in the molecule.• addRep(rep): Add the given MoleculeRep instance to the Molecule. Modifications to therep will affect all Molecules to which the rep has been added. Raises ValueError if the rephas already been added to this molecule.• delRep(rep): Removes the given MoleculeRep from the Molecule. The rep is not affectedand can be added to other molecules, but changes to it will no longer affect this Molecule.• clearReps():Removes all reps from this molecule.• autoUpdate(rep, onoff = None): If onoff is not None, sets the auto-update status forthis rep and molecule (note that a rep’s auto-update status may be different for differentmolecules). Returns the reps auto-update status.• ssRecalc(): Recalculate the secondary structure for this molecule.Examples:>>> from VMD import *>>> from Molecule import *>>> bR=Molecule()>>> bR.load(’../proteins/brH.pdb’)>>> bR.name()’molecule’>>> bR.rename(’bR’)>>> bR.name()’bR’>>> bR.numAtoms()3762>>> bR.dupFrame()>>> bR.numFrames()2144