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UnityMol Conceived with biological systems in mind, but relevant for any molecular system Modern interface: recent and still under active development Supported formats: PDB, mmCIF, GRO, Mol2, XYZ and SDF files, OpenDX potential maps, XTC trajectory files Important number of representation formats and coloring/rendering options VR (Virtual Reality) support (...


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There some very important points to address here. In a periodical structure, the atom coordinates and the cell parameters are not randomly selected. The crystal structure (atom positions, cell parameters, spacial group) are determined by X ray/neutron crystallographic using single crystal or powders. The atoms are placed in the so called Wyckoff positions. ...


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Beautiful Atoms Beautiful Atoms is a Python package for editing and rendering atoms and molecules objects using Blender. A Python interface that allows for automating workflows. Features: Model: space-filling, ball-stick, polyhedral, cavity and so on. Support file: cif, xyz, cube, pdb, json, VASP-out and so on. Support structure from ASE and Pymatgen ...


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