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SingleCrystal
SingleCrystal 4.1.2   
... 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

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

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
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