VMD User's Guide

Keyword Aliases Arg Set Descriptionid int N molecular idindex int N index on the molecule listnumatoms int N number of atomsname str N the name of the molecule (usually the name of the file)filename str N list of filenames for all files loaded for this moleculefiletype str N list of file types for this moleculedatabase str N list of databases for this moleculeaccession str N list of database accession codes for this moleculeremarks str N list of freeform remarks for this moleculeactive bool Y is/make the molecule activedrawn displayed bool Y is/make the molecule drawnfixed bool Y is/make the molecule fixedtop bool Y is/make the molecule topcenter vector Y get/set the coordinate used as the centercenter matrix matrix Y get/set the centering matrixrotate matrix matrix Y get/set the rotation matrixscale matrix matrix Y get/set the scaling matrixglobal matrix matrix Y get/set the global (rotation/scaling) matrixview matrix matrix N get/set the overall viewing matrixnumreps int N the number of representationsselection i string N the string for the i’th selectionrep i string N the string for the i’th representationcolor i colour string N the string for the i’th coloring methodnumframes int N number of animation framesframe int Y current frame numbertimesteps int Y number of elapsed timesteps in an interactive simulationbond float N the bond energy (for the current frame)angle float N the angle energydihedral float N the dihedral energyimproper float N the improper energyvdw float N the van der Waal energyelectrostatic elec float N the electrostatic energyhbond float N the hydrogen bond energykinetic float N the total kinetic energypotential float N the total potential energyenergy float N the total energytemperature temp float N the overall temperaturepressure float Y the simulation pressurevolume float Y the simulation volumeefield float Y efieldalpha float Y unit cell angle alpha in degrees (for the current frame)beta float Y unit cell angle beta in degrees (for the current frame)gamma float Y unit cell angle gamma in degrees (for the current frame)a float Y unit cell length a in Angstroms (for the current frame)b float Y unit cell length b in Angstroms (for the current frame)c float Y unit cell length c in Angstroms (for the current frame)Table 8.3: molinfo set/get keywords122