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The Molecular Modelling Toolkit (MMTK) is an open-source software package written in Python, which performs common tasks in molecular modelling. , MMTK consists of about 18,000 lines of Python code, 12,000 lines of hand-written C code, and some machine-generated C code. ==Features== * construction of molecular systems, with special support for proteins and nucleic acids * infinite systems or periodic boundary conditions (orthorhombic elementary cells) * common geometrical operations on coordinates * rigid-body fits * visualization using external PDB and VRML viewers; animation of dynamics trajectories and normal modes * the AMBER 94 force field, with several options for handling electrostatic interactions * a deformation force field for fast normal mode calculations on proteins * energy minimization (steepest descent and conjugate gradient) * molecular dynamics (with optional thermostat, barostat, and distance constraints) * normal mode analysis * trajectory operations * point charge fits * molecular surface calculations * interfaces to other programs 抄文引用元・出典: フリー百科事典『 ウィキペディア（Wikipedia）』 ■ウィキペディアで「Molecular Modelling Toolkit」の詳細全文を読む スポンサード リンク
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