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Includes the Maestro GUI which provides visualizing, molecule building, calculation setup, job launch and monitoring, project- level organizing of results, access to a suite of other modelling programs. Proprietary. Schr. Modular architecture, modules termed SAMSON Elements. Proprietary, gratis. SAMSON Connect. Stru. MM3. D (STR3. DI3. Yes. Yes. Yes. Yes. No. No. No. No. No. Sophisticated 3- D molecule builder and viewer, advanced structural analytical algorithms, full featured molecular modeling and quantitation of stereo- electronic effects, docking, and handling of complexes. Proprietary, free 2. Exorga, Inc. Scigress. Yes. Yes. Yes. Yes. No. No. Yes. Yes. No. MM, DFT, semiempirical methods, parallel MD, conformational analysis, Linear scaling SCF, docking protein- ligand, Batch processing, virtual screening, automated builders (molecular dynamics, proteins, crystals)Proprietary. SCIGRESS. com. Spartan. Yes. Yes. Yes. No. Yes. No. Yes. Yes. No. Small molecule (< 2,0. 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