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SingleCrystal
SingleCrystal 4.1.8   
... 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

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

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
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