SHELX is a system of programs for macromolecular users supporting crystal structure determination. SHELX originally regarded small molecules only, but it is now upgraded to be used also for macromolecules. SHELX includes: SHELXS Structure solution, SHELXC Preparations of files for macromolecular phasing, SHELXD Structure solution, SHELXE Phases, SHELXL Structure refinement, CIFTAB Tables, SHELXA Post-absorption corrections, […]
Tag: Chemistry
If you are after chemical simulations and study a subject accordingly, this free program can help a lot. DWSIM facilitates simulations, creates compounds and analyzes data regression. You can use it to study thermodynamic models, make components, and manage reactions. The program supports error detection, and PH calculation. You can use it to learn the […]
ChemToolBox will be a great help, whether you are a chemist, a biochemist or a polymer chemist. It provides scientific data organized in sections, including Solvents, Solutions, Elements, Biochemistry, Spectroscopy, Calculations. Solvents provide: molar mass, volumic mass, melting point, boiling point, refractive index, CAS number, chemical structure, solubility in water, non-miscibility, relative miscibility, 1H and […]
Jmol is an open-source viewer for three-dimensional chemical structures, with features for chemicals, crystals, materials and biomolecules. It can read many file types, including PDB, CIF, SDF, MOL, PyMOL PSE files, and Spartan files, as well as output from Gaussian, GAMESS, MOPAC, VASP, CRYSTAL, CASTEP, QuantumEspresso, VMD, and many other quantum chemistry programs. Files can […]
Microsoft Mathematics is a free application providing a graphing calculator that plots in 2D and 3D, step-by-step equation solving, and useful tools to help students with math and science studies. The program can help you learn to solve equations step-by-step while gaining a better understanding of fundamental concepts in pre-algebra, algebra, trigonometry, physics, chemistry, and […]