A collection of Pot objects - which is itself a Pot object. An instantiated object will act like a Python Sequence- it is iterable, indexable (by position number, and by instance name), and the len() builtin works as expected. Constructor: PotList(NAME) NAME is a name given to this instance of the PotList class. Methods: only the standard potential terms exist: potName() - returns 'PotList' instanceName() - returns NAME given in the constructor scale()/ setScale(scaleFac) - get/set a scale factor for this term NOTE: this is independent of scalings set within the XPLOR interface. calcEnergy() - calc energy without and with gradient calcEnergyAndDerivs(DerivList) - evaluation. Return the value of energy - these calculate and sum energy of each term - in the list. energyReports() - return a list of .EnergyReports for each term. clearEnergyReports() - clear the EnergyReport list. violations() - report the sum of all violations rms() - report the average rmsd. If the PotList consists of term which are all the same type, and which contain restraints, the returned value R is computed as R^2 = sum_i N_i * w_i * R_i^2 / (sum_i N_i * w_i) where for term i, R_i is rms(), w_i is scale(), N_i is numRestraints(). If the terms are of the same type, but don't have a meaningful concept of restraint (numRestraints()==-1), then N_i is set to 1 in the above equation. append(pot) - add a new term to the list. byName(instanceName) - return the potential term specified.