Description:almost - all atom molecular simulation toolkit
Abstract: almost - all atom molecular simulation toolkit - is a fast and flexible molecular modeling environment that provides powerful and efficient algorithms for molecular simulation, homology modeling, de novo design and ab-initio calculations.
Written in C++, almost has been specifically designed to be used as an application framework for the rapid development of Computational Biology Software, as Command Line Tool or as a 3D Interactive Modeling Environment.
almost provides an extremely high performance. Algorithms and data structures have been optimized to take advantage of vector instructions and multi-core technology of modern CPUs, using type and architecture template traits. So, Energy<double,CPUPlain> will use the default algorithm, while Energy<float,CPUPSSE> a specialization for CPUs with the SSE instruction set. Assembly innermost loops for the energy and force computations are provided for the most common architectures.