Chem3D Users Manual - CambridgeSoft

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Administrator To find a structure that corresponds to an ACX number: 1. From the Online menu, choose Find Structure from ACX Number. The Find Structure from ACX number dialog box appears. ACX Numbers To Find an ACX number for a structure: 1. In a ChemOffice document, select the structure for which you want to find an ACX number. 2. From the Online menu, choose Find ACX Numbers from Structure. The ACX number appears in the Find ACX Numbers from Structure dialog box. 2. Type the ACX registry number. 3. Click OK. The Structure appears in your document. To find a structure from a name 1. From the Online menu, choose Find Structure from Name at ChemACX.com. The Find Structure from Name dialog box appears. Browsing SciStore.com Browse ChemStore.com opens the SciStore (formerly ChemStore) page of the CambridgeSoft web site (http://scistore.cambridgesoft.com/). To access Browse SciStore.com: • From the Online menu, choose Browse ChemStore.com. The SciStore.Com page opens in your browser. 2. Type in a name. As with ChemFinder.com, you can use a chemical name or a trade name. 3. Click OK. The Structure appears in your document. 226• Accessing the CambridgeSoft Web Site CambridgeSoft Browsing SciStore.com
You can search SciStore.Com for chemicals, lab supplies, chemistry-related software, and other items you want to buy. You can access ChemACX.Com and other pages from SciStore.Com. Browsing CambridgeSoft.com Browse CambridgeSoft.com opens the Home page of the CambridgeSoft web site. To access the CambridgeSoft Home Page: Using the ChemOffice SDK The ChemOffice Software Developer’s Kit (SDK) enables you to customize your applications. To browse the ChemOffice SDK: • From the Online menu, choose Browse ChemOffice SDK. The CS ChemOffice SDK page opens in your browser. • From the Online menu, choose Browse CambridgeSoft.com. The CambridgeSoft web site in your browser. The ChemOffice SDK page contains documentation, sample code, and other resources for the Application Programming Interfaces (APIs). Check the CambridgeSoft web site for new product information. You can also get to SciStore.Com, ChemBioNews.Com, and other pages through CambridgeSoft.Com. NOTE: You must activate Javascript in your browser in order to use the ChemOffice SDK page. Appendices Chem3D- Appendix Accessing the CambridgeSoft Web Site • 227 Browsing CambridgeSoft.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 TRIPLET QUARTET QUINT
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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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Chem3D Users Manual - CambridgeSoft

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