![]() Seamlessly interface the PDB (Protein Data Bank) to access published protein and nucleic acid structures via PDB-ID. Energy profile calculations allow for exploration of explicit conformational flexibility, and the Equilibrium Conformer and Conformer Distribution tasks enable full conformational analysis (using MMFF) for flexible molecules. Tools for constructing and isolating transition states allow for exploration of reactions and reaction sequences. Computational models allow for elucidation of structure, properties, and energies. Spartan Student Edition supports chemistry education! With 3D molecule builders including organic, inorganic, peptide and nucleotide as well as a fully integrated 2D sketching environment, students can easily build almost any molecule or system. Molecular modeling in the undergraduate curriculumĪnd introducing future chemists to molecular modeling This application is an ideal tool for both utilizing Licensing for schools, or as student purchases, (semi-empirical), Hartree Fock, B3LYP, EDF2 and ωB97X-D Models including MMFF (molecular mechanics), PM3 ![]() Spartan Student Edition provides affordable molecular modeling software and modern computational methods to explore general, organic, physical, and inorganic chemistry topics in undergraduate chemistry.Ī targeted subset of features provides a highly flexible andįunctional interface with a streamlined set of computational Molecular Modeling for the Undergraduate Chemistry Curriculum ![]()
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