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Administrator • Restore Previous List is no longer dimmed after you have done a single search; it is available, and will return you to the full list. (This is true also in ChemFinder 9.0.) • Over Current List, Omit From List, and Find List work as before. Setting Oracle Preferences When you are working with an Oracle database, the Properties dialog contains a tab for Oracle settings. Items currently in this tab are as follows: Oracle tab • Records per retrieve. Sets the size of the ADO recordset cache, that is, the number of records brought to the client for each retrieve operation. This value can be adjusted for better performance, but in practice it does not have much effect. • Cache ID's for faster moves. Checking this box enables a new record-retrieval scheme designed for more efficient browsing of large lists; details are given in “Fast-Move Caching Scheme” on page 703. The state of this checkbox is saved with the formfile. Currently, when you check or uncheck this box, you must save and reopen the form before proceeding. • SQL Trace to file. Check this box to generate a text file of the SQL being sent from ChemFinder to Oracle. To specify an output file, enter a pathname or use the browse button. The file is never overwritten: new data are always appended. Tracing begins when this box is checked, and ends when it is unchecked. If you exit ChemFinder with tracing in effect, it will be in effect the next time you start up, and you will be given a quick warning about it on the status bar. CAUTION The trace file can become very large if you turn on this feature and forget about it. • Auto-sort on. Displays the default sort field. All lists will be sorted in ascending order over this field if no other sort criterion has been specified. At present, the auto-sort field is always the primary key, and cannot be changed. • Primary key. Names the primary key of the current table, if any. • Saved hits. Displays the name of the table in which saved hitlists are stored for the current form, if one has been created. Updating and Adding Data If you have privileges to add, update, and delete in the table connected to your form, then you should be able to do these operations on records in the database just as in ChemFinder. However, there are some cautions: 356•ChemFinder/Oracle <strong>CambridgeSoft</strong> Setting Oracle Preferences
• Do not modify data in an existing Web Server, RegDB, or E-Notebook database. ChemFinder/Oracle does not automatically prevent you from doing this, but you are sure to foul up those systems unless you go through their normal registration procedures, or know exactly what you're doing. Most database alterations are possible, as in ChemFinder: you can add, modify, and delete tables and fields, assuming you have the appropriate privileges. Differences include: • When you create a structure field, you can give it any name you like. • Structure columns in tables managed by the CS Oracle Cartridge can be in any of several formats, but ChemFinder/Oracle does not allow you to choose one: it defaults to a character (CLOB) column storing textencoded CDX. • ChemFinder/Oracle does not allow you to create an Oracle database in the same way ChemFinder creates an Access mdb file. The equivalent in ChemFinder/Oracle is to create a table. Loading To import data and structures into a new table: 1. On an empty form, right-click and choose Data Source. 2. Click Oracle Database and proceed as described under “Opening an Oracle Database” on page 354. It doesn't matter what table you select, since you will be creating a new one. 3. Click OK to return to the blank form. You are now ready to import. NOTE: When you click OK to dismiss the properties dialog, you will get a warning if the selected table does not have a primary key defined. You can ignore this if you are about to create or load a new table. Otherwise, you should consider using an Oracle tool to define a primary key for the table. 4. Choose Import SDFile or Import Structures and select the source file(s). The Data Import dialog appears: Import tab Output database text box ChemFinder You can build ChemFinder/Oracle databases by loading from SDFiles or using Import Structures. (RDFiles should work also, but have not been tested.) However, because you cannot actually create a new database, the procedure is somewhat different from ChemFinder. You must already have a database open, and then you can import to an existing table or have a new one created. 5. In the Output database box, you see the name of the database followed by the table name in brackets. To specify the table to load, edit the table name by typing between the brackets. If you want to create a new table, enter the name you wish to give it. If you want to append to an existing table, enter its name. <strong>ChemOffice</strong> 2005/ChemFinder ChemFinder/Oracle • 357 Loading
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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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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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Administrator • From the Computat
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Administrator 2. Adjust the slider
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Administrator 100•Displaying Mode
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Administrator Example: To examine t
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Administrator Chem3D provides two o
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Molecular Design Limited MolFile (.
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Administrator 124•Printing and Ex
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Method Type Advantages Disadvantage
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Administrator • A single point ca
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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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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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If you want to … Then Click … A
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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 Chemical symbol ++ ba
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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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The following table contains the ke
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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 Hyperfine Coupling Co
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Administrator 194•MOPAC Computati
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Administrator If you want to … re
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Administrator In the Results In tex
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Administrator • From the ChemOffi
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Administrator 220•Introduction Ca
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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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9. Click the Form tab. There should
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to see some of the information avai
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• From the Record menu, choose Fi
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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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When you release the mouse button,
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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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To disable security and reset defau
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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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The name of the new field appears i
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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 Desired Result Change
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Administrator To export to MS Word:
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Administrator 410• E-Notebook Use
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Administrator NO 2 NO 2 Me Me HC(OE
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Administrator • Top of Arrow as R
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Administrator • Equivalents - the
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The example below shows the Prepara
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Administrator Ethanol was selected,
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Administrator Type in the AutoText
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Adding Properties to Property Lists
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Type of Measurement Permitted Units
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3. Enter the URL and click OK. Work
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Administrator A new Ancillary Data
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Administrator Replacing a Spectrum
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The row is removed from the Table.
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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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5. Click the section menu icon. The
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Administrator Printing Sections You
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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 Isotopes Isotopic lab
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Administrator • Browse to the roo
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Administrator 2. Select Remove Prop
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Administrator Advanced Text Searchi
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For example, the following searches
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Administrator Searching For ... Ret
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3. Click the Search In... checkbox
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Administrator The Collection Tree a
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2. Select Session Manager.... The S
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Administrator A new section type ap
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Administrator See the following top
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Administrator 3. If necessary, clic
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compute the checksum for the upload
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Administrator 4. A new Section List
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Administrator Managing the Audit Se
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Administrator The field appears in
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A menu appears. 2. Select Box Prope
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Showing the Name of a Box To show t
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Administrator contained box accordi
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Administrator In the form we are sh
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Administrator For example, if there
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Administrator 506• Managing Secti
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Administrator Several fields types
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Administrator • Default Font - yo
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The Section Type Configuration dial
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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 • Username - An opt
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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 3. Right-click the Ta
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Administrator • SupplierID - the
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Administrator reactants and product
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Managing Search Fields Administrato
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Administrator To access the Add-In
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Administrator In the query table fi
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Creating a New Collection Type The
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Administrator 2. To expand the coll
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Administrator Adding a Collection L
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Administrator contained collection
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Administrator Chemical Structure Se
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Administrator To add states to a co
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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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A new Transition Listener appears,
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Administrator To view the export te
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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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To change the Transition Security P
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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 Section Listeners E-N
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Administrator • Add Reactant tabl
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Administrator have an OK button onl
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Administrator 604 • CambridgeSoft
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Administrator Accessing the Online
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Administrator To find a structure t
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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 Connection tables by
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Administrator COMPND ATOM HETATM CO
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Parameter Table Use Parameter Table
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Administrator 6. The pi molecular o
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O O Bond Type Description Administr
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Formula Chemfinder Interpretation A
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Administrator open a large table an
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Administrator 706• CS Oracle Cart
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Administrator Combi experiments 367
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Administrator Dihedral type field 6
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Administrator Exporting (continued)
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Administrator Importing (continued)
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Administrator Mol_ID field 287 Mola
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Administrator Opening (continued) p
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Administrator Property query and ta
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Administrator Redo command 269, 299
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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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