Konrad Hinsen The molecular modeling toolkit: A new approach to molecular simulations. 79-85 2000 21 Journal of Computational Chemistry 2 http://dx.doi.org/10.1002/(SICI)1096-987X(20000130)21:2<79::AID-JCC1>3.0.CO;2-B db/journals/jcc/jcc21.html#Hinsen00