VMDInter Objects Objects in this module are used to communicate with the external VMD program. Constructor: VMDInter(host,port) - arguments are optional. Default to the env variables DP_HOST and DP_PORT. These correspond to the host and port on which VMD is listening. Methods: makeObj(name) - return a new VMDObject with given name. getObj(name) - return an existing VMDObject with given name. deleteAll() - delete all VMD graphical objects associated with this xplor session. tclCommand(cmd) - execute TCL command in the VMD interpreter. setCenter(v) - set the center of rotation to the 3-tuple v vmdLocal() - return true true if VMD and XPLOR are running on the same computer, else false. makeTop(name) - make object with given name VMD's ``top'' molecule. loadFiles(args) - load multiple structures at once. See help for this method. VMDObject Objects are created by the appropriate VMDInter method Methods: color(colorSpec) - set the color of the associated graphical object. delete() - delete the associated VMD graphical object labels(sel) - draw labels at the positions of the atoms specified by the sel AtomSel. The format of the label is controlled by the following boolean members: labelSegID - print segment ID labelResName - print residue name labelResID - print residue ID labelAtomName - print atom name bonds(atomSel, style="lines" colorBy="Molecule") - draw molecular representation including the atoms specified by atomSel. If the second argument is omitted, lines are draw between the atoms. Other styles include any of the VMD rendering styles. colorBy corresponds to the VMD coloring method. append() - append the current coordinates to the graphical object and create a new VMD animation frame. Example: from vmdInter import VMDInter vmd=VMDInter() vobj=vmd.makeObj("struct") #creates a new VMD molecule # named ``struct'' vobj.bonds("name C or name N or name CA") #draw backbone atoms #ivm is an .IVM object # the next line will cause a new animation frame to be appended to # the VMD trajectory for molecule named ``struct'' - every 100 steps # of dynamics or minimization ivm.setTrajectory( VMDTraj(vobj,saveInterval=100) )