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Administrator The Open Chemical Structures window appears. 3. Double click the file you want to add to the Hit List, or type the name of the file in the “File Name” text box. 4. Click Open. The file appears as a record at the end of the Hit List. To take a record off the hit list, right-click and select Remove. Saving Files or Data Sources A data source, or file, can be any of the following: • A document, like an MS Word document or an MS Excel spreadsheet. • A database, like a ChemFinder database. • Any combination of documents or databases. You can save search results as a file to search through again. Saving Search Results as .sdf Files The .sdf file format saves the Hit List records as complete structures in MDL SDFile format. You can import .sdf files from ChemFinder/Office into applications like ChemFinder. To save search results in the .sdf format after a search: 1. From the File menu, choose Export SDFile. The Save As dialog box appears. 2. In the “File Name” text box, type a name for the file. 3. Click Save. The file is saved with an .sdf extension. For more information about exporting files to other applications, see “Sending a File to Another Application” on page 377. Saving Data Sources as .dsd Files After you complete a search, you can save all the records from the Hit List as a Data Source Definition (.dsd) file so that you can search through them again. You can use .dsd files to search for structures, substructures, or structures similar to your previous search through the .dsd file. To save the results of a search as a .dsd file: 1. After completing a search, choose Save Source As from the File menu, . The Save As dialog box appears. 2. In the “File Name” text box, type a name for the group of files. 3. Click Save. The files are saved with a .dsd extension. Saving Lists of Directory Paths as .dsd Files NOTE: Only advanced users familiar with text editors should use this procedure. You can save lists of directory paths that you search as .dsd files. You can create these lists with a text editor such as Notepad. Saving a list of directory paths as a .dsd file saves the directories in which you search frequently. To save a list of directory paths: 1. Open Notepad or some other ASCII text editor. 2. Type the directory or database paths you want to search. 376•ChemFinder/Office CambridgeSoft Saving Files or Data Sources
3. From the File menu in Notepad, choose Save As. The Save As dialog box appears. 4. In the “File Name” text box, type a name for the file and include a .dsd extension. For example, type a File Name like “search1.dsd.” 5. Click Save. 6. Close Notepad. Searching .dsd Files To search for a structure in a .dsd file: 1. From the ChemFinder/Office File menu, choose Open. The Open dialog box appears. 2. In the “Files of type:” text box, select Data source definitions (*.dsd) from the dropdown menu. 3. In the “File Name” text box, type the .dsd file name, or select the file from those listed. 4. Click Open. The first structure associated with the last saved version of the .dsd file appears in the Structure window. 5. Click New Search. ChemFinder/Office clears the Structure window. 6. Click Edit Structure, and draw a structure to search for. 7. Click Find Now. ChemFinder/Office searches through the files specified in the .dsd file. Any hits appear in the Hit List. Sending a File to Another Application You can send a structure or a file of structures (like .sdf files) to another application. You can cut a single structure from an application and paste it into another, or you can send more than one structure directly into another application. Use the items in the Send To menu to send files to these applications: • MS Word • MS Excel • CS ChemFinder • CS ChemDraw • ChemACX.Com Search To send a file to another application: 1. In the Data Source - Find Chemical Structures window, click the Send To menu. The Send To menu appears. 2. From the Send To menu, choose an application to send a file to. The Send To box dialog box appears. NOTE: When you send files to Chem.ACX.Com, The Send To dialog box does not appear. The structure associated with the file is sent directly to ChemACX.Com. ChemFinder ChemOffice 2005 /ChemFinder/Office ChemFinder/Office • 377 Searching .dsd Files
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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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Administrator Undoing Changes . . .
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Administrator Chapter 28: Introduci
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Administrator Atom Properties . . .
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Administrator Deleting a Field Type
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Administrator Example 2. . . . . .
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Administrator Reaction Center . . .
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Administrator In addition to browsi
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Administrator Microsoft®Windows®
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Administrator Truncated-Newton-Raph
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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 26 •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 In the Measurements t
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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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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 When sizing by partia
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Administrator Depth Fading3D enhanc
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Administrator • From the Computat
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Surface Type Description Surface Ty
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Administrator 2. Adjust the slider
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Administrator Density surface is ca
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Administrator 100•Displaying Mode
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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 124•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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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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Administrator Intermediate status m
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Administrator staggered form. The m
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Administrator During dragging, the
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Compute Properties The Compute Prop
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Administrator C(2)-C(3)-C(4) bond a
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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 Minimizing Energy Min
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Administrator criteria, to optimize
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Administrator 6. Hold down the S ke
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Administrator Dipole Moment The dip
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Administrator Molecular Surfaces Mo
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Administrator 3. Click in the model
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Keyword Description 7. On the Prope
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Administrator 194•MOPAC Computati
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Administrator In the Results In tex
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Administrator Repeating a Gaussian
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Administrator To specify the calcul
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Property Description Property Descr
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Property Description Error Message
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Administrator Property Electronic E
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Administrator To perform property c
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Administrator • From the ChemOffi
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Administrator 220•Introduction Ca
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. The components of the ChemFinder
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Administrator Screen Element Table
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Administrator • From the View men
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Administrator A form displays data
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Administrator The Table view appear
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+ The ISICCR database opens in Chem
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Administrator To search over a list
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Administrator 250•ChemFinder Tuto
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The Open dialog box appears. To cho
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A data source tree appears, contain
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ChemFinder saves the form with a .c
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The framed data box is labeled. NOT
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Administrator To save a metafile fr
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Administrator • Rich Text—displ
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Administrator Adding a Data Box Men
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Administrator Customizing Numbers U
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Administrator When the selection to
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To line up objects on a form: Admin
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Administrator to those usernames. M
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Administrator • Take the appropri
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Administrator • In the new dialog
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To search: Administrator 8. Take th
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Administrator 282•Relational Data
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Administrator The following table s
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1. Click one of the column headers
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Administrator Creating Tables There
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Creating Fields Administrator 4. Fr
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Administrator ChemFinder creates a
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Administrator atoms contained in th
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Administrator • If you are editin
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Administrator The record is permane
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Administrator The plot appears in a
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Administrator Context menu options
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Administrator In the bottom diagram
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Administrator 308•Visualizing Dat
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The general procedure for importing
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Administrator Using Log Files Durin
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Administrator d. The input file has
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Administrator Export to SDFile When
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Administrator benz OR *bromo* Benze
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Search Type Administrator Normal Se
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Administrator The hit list will inc
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Page 422 and 423: Administrator You can organize coll
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Type of Measurement Permitted Units
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Administrator A new Ancillary Data
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Administrator Replacing a Spectrum
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Administrator you enter an invalid
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Administrator Type of Measurement m
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Administrator 4. The spreadsheet ap
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Administrator Clicking the Changes
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Administrator In some configuration
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Administrator 452• Changes and Au
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Administrator 2. If no form appears
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Administrator Several fields types
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Administrator Example 1 In this exa
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Administrator See the following top
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Administrator Associating a list of
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Administrator To add a property lis
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Administrator from the Property dro
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Administrator The Field Properties
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Administrator Another feature of ta
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Administrator reactants and product
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Administrator 546• Managing Field
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Administrator Adding a Collection L
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Administrator A menu appears. 4. Se
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Administrator the Rename command in
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Administrator Creating a Search Typ
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Administrator Chemical Structure Se
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• Removing a Transition Listener
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Administrator • Unlocked Contents
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Administrator If the user wants to
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Administrator To edit this data, 1.
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Administrator Setting the Region fo
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Administrator 584• User Administr
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Administrator 2. If Inherits Securi
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Administrator The Security tab appe
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Administrator To disable inherited
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Administrator Desired Result Remove
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Administrator 596• Managing E-Not
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Administrator 604 • CambridgeSoft
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Administrator Accessing the Online
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Administrator The CS ChemOffice SDK
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Administrator Troubleshooting This
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Administrator Defining Substructure
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Administrator If an atom can be ass
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Administrator Example 3 In Example
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Administrator 14 13 H 2.197 -0.8229
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Administrator CONECT 4 2 9 10 11 CO
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Administrator COMPND ATOM HETATM CO
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Administrator Adding Parameters to
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O O Bond Type Description Administr
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Administrator 706• CS Oracle Cart
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Administrator Access (continued) re
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Administrator Atom-to-Atom mapping
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Administrator Changing (continued)
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Administrator Combi experiments 367
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Administrator Creating (continued)
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Administrator Dihedral type field 6
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Administrator Exporting (continued)
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Administrator Frame interval contro
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Administrator Importing (continued)
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Administrator Managing (continued)
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Administrator Mol_ID field 287 Mola
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Administrator Property query and ta
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Administrator Redo command 269, 299
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Administrator Search Details prefer
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Administrator Sextic bending consta
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Administrator Subforms (continued)
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Administrator User interface 9 User
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Administrator xxxviii• CambridgeS
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CAMBRIDGESOFT ChemOffice Desktop to
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CS ChemOffice Software Suites ChemO
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DESKTOP CS E-Notebook Electronic Jo
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DESKTOP CS ChemDraw Chemical Struct
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DESKTOP CS Chem3D Molecular Modelin
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DESKTOP CS ChemFinder Searching and
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DESKTOP CS ChemInfo Reference and C
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ENTERPRISE ChemOffice WebServer Ent
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ENTERPRISE Oracle Cartridge Enterpr
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KNOWLEDGE E-Notebook Enterprise Des
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KNOWLEDGE Document Manager Desktop
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KNOWLEDGE 21CFR11 Compliance Electr
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RESEARCH & Registration System Chem
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RESEARCH & Inventory Manager Chemic
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RESEARCH & CombiChem Enterprise Des
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RESEARCH & BioAssay HTS Biological
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RESEARCH & BioSAR Browser Biologica
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CHEMICAL ChemACX Database Available
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CHEMICAL The Merck Index Chemistry
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CHEMICAL Chemical Databases Referen
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CONSULTING & Consulting & Services
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CS Software Problem Report For fast
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