Chem3D Users Manual - CambridgeSoft

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Administrator Accessing the Online ChemDraw User’s Guide The Online menu link Browse CS ChemDraw Documentation opens the Cambridgesoft Desktop Manuals page, where you can access current and previous versions of the ChemOffice User’s Guide. To access the CambridgeSoft Manuals page: 1. From the Online menu, choose Browse CS ChemDraw Documentation. Accessing CambridgeSoft Technical Support The Online menu link Browse CS ChemOffice Technical Support also opens the Cambridgesoft Professional Services page. There are a number of links on this page for Troubleshooting, Downloads, Q&A (the ChemOffice FAQ), Contact, and so forth. Finding Information on ChemFinder.com The Desktop Manuals page appears. PDF versions of the CambridgeSoft manuals can be accessed from this page. NOTE: If you do not have a CambridgeSoft User account, you will be directed to a sign-up page first. 2. Click version of the manual to view. The Find Information on ChemFinder.com menu item links your browser to the ChemFinder database record of the compound you have selected. ChemFinder is the public-access database on the ChemFinder.com website. It contains physical, regulatory, and reference data for organic and inorganic compounds. To access ChemFinder.com: 1. In ChemOffice, select a structure you want to look up. 2. From the Online menu, choose Find Information on ChemFinder.com. The ChemFinder.com page opens in your browser with information on the selected structure. In ChemFinder.com you can search for chemical information by name (including trade names), CAS number, molecular formula, or molecular weight. 224• Accessing the CambridgeSoft Web Site CambridgeSoft Accessing the Online ChemDraw User’s Guide
Follow the links to do substructure queries.The following illustration shows part of the page for Benzene. To use Find Suppliers on ACX.Com menu access: 1. In ChemOffice, select a structure you want to look up. 2. From the Online menu, choose Find Suppliers on ACX.com. The ChemACX.Com page opens in your browser with information on the selected structure. For example the ChemACX.com page for Benzene is shown below. Finding Chemical Suppliers on ACX.com The Find Suppliers on ACX.Com menu item links your browser to the chemacx.com database record of suppliers of the compound you have selected. ChemACX (Available Chemicals Exchange) is a Webserver application that accesses a database of commercially available chemicals. The database contains catalogs from research and industrial chemical vendors. ChemACX allows the user to search for particular chemicals and view a list of vendors providing those chemicals. For more information on using the ChemACX website, see the ChemOffice Enterprise Workgroup & Databases Manual. Finding ACX Structures and Numbers ChemOffice searches ACX and returns information about related structures and numbers. You can place the returned information in your document. ACX Structures There are two ways to find ACX structures: by ACX number or by name. Appendices Chem3D- Appendix Accessing the CambridgeSoft Web Site • 225 Finding Chemical Suppliers on ACX.com
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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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Administrator Setting Molecular Sur
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Administrator Methods Available in
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Administrator Defining Atom Types.
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Administrator • CambridgeSoft
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Administrator provides a balance be
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Administrator the activation each t
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Administrator The following table d
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Administrator • Stereo Pairs—A
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Administrator • Bond Angles—Dis
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Administrator The Building Toolbar
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Administrator The Calculation Toolb
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Administrator 1. Right-click in the
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Administrator • In the Model Sett
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Administrator modes and color setti
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Administrator 30 •Chem3D Basics C
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Administrator 2. Click the ChemDraw
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3. Move the pointer over the C-C bo
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Administrator Add serial numbers an
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Administrator 5. Press the Enter ke
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. Administrator b. From the Structu
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Administrator In the Measurements t
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A molecule of Epinephrine appears.
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Administrator Tutorial 7: Docking M
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Administrator To save the iteration
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The allyl radical, CH 2 =CHCH 2·,
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Administrator Determine the raw spi
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Administrator atoms are relatively
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To change the structural display ty
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Administrator When sizing by partia
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Administrator Depth Fading3D enhanc
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• Select Parallel to rotate the r
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Administrator • From the Computat
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Administrator Surface Type Solid De
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Administrator 2. Adjust the slider
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Administrator Density surface is ca
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Administrator 72 •Displaying Mode
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Administrator The following table d
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Administrator When Correct Atom Typ
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Administrator To use the same text
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Administrator Example 2. Building a
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Administrator copied into blank tab
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Administrator 3. Type the atom type
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Administrator Clean Up Structure or
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Setting Serial Numbers this step, y
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Administrator Refining a Model Afte
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Administrator Selecting Multiple At
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Administrator New in Chem3D version
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Administrator Dragging moves atoms
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Administrator 3. Hold down the Shif
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To position a plane in your model p
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Administrator • Second Positioned
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Administrator For example, consider
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Administrator If you want to displa
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Administrator Example: To examine t
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Administrator Chem3D provides two o
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Administrator change a property. By
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Administrator To add to a group: 1.
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To stop spinning: • On the Movie
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Administrator If you want to … Th
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Administrator EPS The PostScript fi
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If you want the file to … Then cl
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Molecular Design Limited MolFile (.
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Administrator 7. Leave the last lin
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Administrator 128•Printing and Ex
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Administrator • Semiempirical Ext
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Method Type Advantages Disadvantage
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Administrator • A single point ca
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Administrator • Molecular mechani
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Administrator constant), while θ 0
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Administrator The van der Waals int
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Administrator 6. The modified value
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the same wave function and a consta
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Administrator A variety of other ba
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Administrator Molecular wave functi
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Administrator activation barriers.
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3. From the Calculations menu, poin
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minimizing a second model, the mini
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Administrator move to lower the ene
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. Administrator Molecular Dynamics
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Administrator If you want to … Th
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Administrator The Compute Propertie
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Administrator To run a previously c
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Administrator The procedures assume
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Administrator improvements in each
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Administrator • Overall errors in
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Administrator The following table c
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Administrator 3. Type the informati
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Administrator Geometry The geometry
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Administrator KS The KS, or bond st
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Administrator one attached hydrogen
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Administrator bond length between t
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Administrator R* The R* field is th
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Administrator The V1 torsional cons
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Administrator VDW Interactions The
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Administrator Editing Parameters Yo
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Administrator 6. The pi molecular o
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Administrator Adding Parameters to
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Administrator fragments 84 paramete
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Administrator CC1 see Cartesian coo
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Administrator Copy As Bitmap comman
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Administrator Examining angles, tut
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Administrator density 67 editing 67
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Administrator editing 107 non-bonde
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Administrator repeating jobs 178 RH
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Administrator Rectification, when d
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Administrator all atoms 95 atoms or
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Administrator Translucent surface t
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Desktop Software Enterprise Solutio
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SOLUTIONS Enterprise Solutions APPL
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Desktop to Enterprise Solutions Che
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SOFTWARE E-Notebook Ultra Ultimate
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SOFTWARE ChemDraw Ultra Ultimate Dr
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SOFTWARE Chem3D Ultra Ultimate Mode
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SOFTWARE ChemFinder/Word • Search
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SOFTWARE The Merck Index • Encycl
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SOLUTIONS •Development and deploy
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SOLUTIONS •Adds chemical data typ
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MANAGEMENT •Custom organization o
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MANAGEMENT • Indexes chemical str
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MANAGEMENT • E-Notebook Enterpris
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DISCOVERY • Accessed through your
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DISCOVERY • Integrated with Regis
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DISCOVERY • Reagent lists can be
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DISCOVERY •Effectively manages da
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DISCOVERY • Catalog driven data m
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DATABASES • Fully structure-searc
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DATABASES • Encyclopedic referenc
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DATABASES • Extensive collection
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SERVICES · Business Case Developme
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CS ChemOffice ® Desktop to Enterpr
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