iMolview 與 WebMO Premium 使用情況與統計

Explore the fascinating world of biological macromolecules: iMolview lets you browse and view in 3D protein and DNA structures from Protein Data Bank, drug molecules from DrugBank, and small molecules from Pubchem. Search for drug names like 'ibuprofen' or 'gefitinib' in DrugBank, or proteins like 'insulin' or 'thyroid receptor' in PDB. Information associated with each molecule in these databases is also at your fingertips. Sync and view your own structure files via iTunes. Molecular view can be customized with a rich set of molecular representations (wires, balls-and-sticks, space filling, ribbon diagrams, molecular surfaces) and various coloring schemes. Select residues, atoms or chains and color or change their representations individually. Select 'neighbors' of a ligand or any other selection to identify interacting atoms or residues. Set 'inertia' to the maximum and let your molecule spin in 3D indefinitely. Save the current scene (viewpoint + representation) as a slide which can be easily accessed later. Save the whole molecular document with multiple slides. Load and contour electron density map

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WebMO Premium

WebMO Premium is equivalent in functionality to the free 'WebMO' app in conjunction with the 'WebMO Premium' in-app purchase. This paid version is provided for convienence for volume purchases. WebMO allows users to build and view molecules in 3-D, visualize orbitals and symmetry elements, lookup chemical information and properties from external databases, and access state-of-the-art computational chemistry programs. WebMO is recommended for students and faculty in high school, college, and graduate school who desire mobile access to molecular structures, information, and calculations. WebMO capabilities include: - Build molecules by drawing atoms and bonds in a 3-D molecular editor, or by speaking the name (e.g., “aspirin”) - Optimize structures using VSEPR theory or molecular mechanics - View Huckel molecular orbitals, electron density, and electrostatic potential - View molecular vibrations - View point group and symmetry elements of molecules - Lookup basic molecular information, including IUPAC and common names, stoichiometry, molar mass - Lookup chemical data from PubChem and ChemSpider - Lookup experimental and predicted molecular properties from external databases (NIST, Sigma-Aldrich) - Lookup IR, UV-VIS, NMR, and mass spectra from external databases (NIST, SDBS) - Capture high-resolution molecular images - Save and recall molecular structures locally - Export and import structures via email WebMO is also a front-end to WebMO servers (version 14 and higher): - Supports Gaussian, GAMESS, Molpro, MOPAC, NWChem, ORCA, PQS, PSI, Quantum Espresso, VASP, Q-Chem, and Tinker computational chemistry programs - Submit, monitor, and view calculations - View formatted tabular data extracted from output files, as well as raw output - Visualize geometry, partial charges, dipole moment, normal vibrational modes, molecular orbitals, and NMR/IR/UV-VIS spectra