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DESKTOP CS Chem3D Molecular Modeling and Analysis Chem3D Ultra includes MOPAC, Tinker and set-up/control interfaces for optional use of GAMESS and Gaussian. Estimate advanced physical properties with CLogP and ChemProp, and create SAR tables using property servers to generate data for lists of compounds. Use ChemSAR/Excel to explore structure activity relationships and use add-on Conformer for conformational searching. Publish and view models on the web using the Chem3D Plugin. Chem3D Pro brings workstation quality molecular visualization and display to your desktop. Convert ChemDraw and ISIS/Draw sketches into 3D models. View molecular surfaces, orbitals, electrostatic potentials, charge densities and spin densities. Use built-in extended Hückel to compute partial atomic charges. Use MM2 to perform rapid energy minimizations and molecular dynamics simulations. ChemProp estimates physical properties such as logP, boiling point, melting point and more. Visualize Connolly surface areas and molecular volumes. Molecular Modeling & Analysis Large Molecular Visualization
SOFTWARE Chem3D Ultra Ultimate Modeling, Visualization & Analysis • Adds MOPAC, CLogP, Tinker, ChemProp,ChemSAR & Chem3D Plugin to Chem3D Pro •Includes GAMESS & Gaussian client interfaces • ChemSAR/Excel builds SAR tables Chem3D Pro Premier Modeling, Visualization & Analysis •Create 3D models from ChemDraw or ISIS Draw, accepts output from other modeling packages • Model types: space filling CPK, ball & stick, stick, ribbons, VDW dot surfaces & wire frame • Compute & visualize partial charges, 3D surface properties & orbital mapping • Polypeptide builder with residue recognition • ChemProp—Basic property predictions with Connolly volumes & surface areas • MM2 minimization & molecular dynamics, extended Hückel MO calculations • Supports: PDB, MDL Molfile, Beilstein ROSDAL, Tripos SYBYL MOL, EPS, PICT, GIF, 3DMF, TIFF, PNG & more MOPAC/Chem3D Advanced Semi-Empirical Computation • Calculate ∆H f , solvation energy, dipoles, charges, UHF & RHF spin densities, MEP, charge densities & more • Optimize transition state geometries • AM1, PM3, MNDO & MINDO/3 methods CAMEO/ChemDraw Synthetic Reaction Prediction • Expert system predicts and displays products • ChemDraw creates starting materials when you choose reaction conditions; sold separately Chem3D Plugin Advanced WWW Model Client •Works with Microsoft Internet Explorer •Visualize 3D molecules on ChemFinder.Com SYSTEMS & LANGUAGES Windows & Macintosh English & Japanese Windows: 95, 98, Me, NT, 2000, XP Macintosh: MacOS 8.6-9.2.X Some features are Windows only. All specifications subject to change without notice. EMAIL info@cambridgesoft.com WWW www.cambridgesoft.com TEL 1 800 315–7300 INT’L 1 617 588–9300 FAX 1 617 588–9390 MAIL CambridgeSoft Corporation 100 CambridgePark Drive Cambridge, MA 02140 USA ChemOffice, ChemDraw, Chem3D, ChemFinder & ChemInfo are trademarks of CambridgeSoft ©2002. All other trademarks are the property of their respective holders. All specifications subject to change without notice.
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ChemOffice.Com ® ChemOffice ® Che
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License Information ChemOffice, Che
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· Licensed users of ChemOffice Ent
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computer, except as provided below.
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Q: IS IT OK TO COPY MY COLLEAGUE’
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A Guide to CambridgeSoft Manuals An
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Chapter 31: Changes and Audit Trail
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Administrator Tutorial 7: Docking M
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Administrator Connection Table . .
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Administrator Specifying Properties
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Page 814 and 815: CHEMICAL The Merck Index Chemistry
Page 816 and 817: CHEMICAL Chemical Databases Referen
Page 818 and 819: CONSULTING & Consulting & Services
Page 821: CS Software Problem Report For fast
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