![]() It is typically used for building coarse-grained toy molecular models. ![]() Moltemplate is a cross-platform text-based molecule builder for LAMMPS. The focus of the package is to facilitate the rapid design and development of simulations that are fully documented and easily adaptable to new potentials/atomic arrangements/etc.ĪSE provides Python modules for manipulating atoms, analyzing simulations, visualization etc.Īvogadro is an advanced molecule editor and visualizer designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.Ī Fortran program to insert dislocation in atomistic simulations, calculate their elastic energy, extract the Nye tensors, and much more.ĬIF2Cell is a tool to generate the geometrical setup for various electronic structure codes from a CIF (Crystallographic Information Framework) file. Pymatgen (Python Materials Genomics) is a robust, open-source Python library for materials analysis.Īten is a tool to create, edit, and visualise coordinates.ĪtomMan: the Atomistic Manipulation Toolkit is a Python library for interacting with large-scale atomic systems. It's an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas. Open Babel is a chemical toolbox designed to speak the many languages of chemical data. Below is a list of other codes that can create, transform, visualize, and/or convert files for atomic systems. ![]()
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