Molecular Graphics and Molecular Dynamics

摘要: The development of molecular graphics techniques has had a significant impact on large number scientific disciplines as diverse biology and theoretical chemistry. This is demonstrated by the increasing laboratories that use high performance computer systems an integral part their research ( 1). Molecular are particular relevance in study dynamics, structure function biomolecules for two main reasons. Firstly, macromolecules size complexity proteins require powerful computing tools probing analysing with speed flexibility. Secondly, display results dynamics simulations can be used both to assess rapidly gross effect calculations overall molecule also allow detailed description atomic motions.