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SingleCrystal
SingleCrystal 5.0.0   
... fun! SingleCrystal can simulate X-ray, neutron and electron diffraction patterns from single crystals, as well as ... diffraction techniques such as Laue, Precession & transmission electron diffraction are simulated, with real-time structure/diffraction rotation and ...
Demo | $449.00
tags: Chemistry Diffraction, Chemistry Analysis, Molecule Simulation, Diffraction, Electron, Neutron

Open3DGRID x64
Open3DGRID x64 2.3   
... or MIFs. Open3DGRID x64 can generate steric potential, electron density and MM / QM electrostatic potential fields; furthermore, it can import GRIDKONT binary files produced by GRID and CoMFA / ...
Open Source
tags: x64 molecular interaction, x64 interaction field, x64 generate MIF, x64 molecule, x64 interaction, x64 field

Open3DQSAR x64
Open3DQSAR x64 2.24   
... interaction fields (MIFs). Open3DQSAR can generate steric potential, electron density and MM/QM electrostatic potential fields; furthermore, it ... GAUSSIAN, FIREFLY, GAMESS-US, MOLDEN) allows calculation of QM electron density and electrostatic potential 3D maps from within ...
Open Source
tags: x64 chemometric analysis, x64 analyze MIF, x64 pharmacophore exploration, x64 MIF, x64 analysis, chemometry x64, x64
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