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Administrator Opening (continued) pictures 259 secured MS Access databases 253 specific databases 243 Opening a database, tutorial 233 Opening ChemFinder see Launching ChemFinder Operators, in CAL commands 698 Optimal field 25, 103 Optimal measurements 103 Optimizing to a transition state 130, 178 Options 302 OR operator, hit lists 337 OR operator, queries 317 Oracle attaching tables 289 handling lists in 355 indexing 358 loading 357 opening a database 354 overview 353 searching in 355 setting preferences 356 setup 353 updating and adding data 356 using CAL with 359 Oracle Cartridge configuration via CF_SETTINGS table 704 fast-move caching scheme 703 pre-setup procedures 703 Order of attachment, specifying 56 Ordering objects 269 Organizing collections 398 Organizing columns and rows in a table 434 Origin atoms, Z-matrix 79 Other applications attaching tables from 289 Other applications, communicating with using DDE 349 Other applications, communicating with using OLE Automation 350 Other applications, communicating with using scripts 349 Other fields in a spectrum section 432 Out of plane bending, equations 137 Out-of-plane bending 665 Output panel 19 Ovality, ChemProp Std 206 Overlays 39 Overlays, hiding fragments 41 Overriding security 276 Overview 389 P Packbits, compression 116 Page breaks 505 Page size 113 Pan see Translate Paradox 289 Parameter table fields 650 Parameter tables, overview 649 Parameters bond angle 25 bond length 25 creating 651 estimating 651 guessing 149, 158 MM2 158, 671 MOPAC 676 setting 212 Partial charge atom size control 85 definition 48 pop-up information 101, 102 Partition coefficient 207 Password, for secured forms 284 Paste command 123 Paste special 11 Performing a collection transition 407 Performing a molecular dynamics computation 154 Performing the next step function for a reaction 428 Periodic Table 678 Periodic table 346 Perspective rendering 88 Pi atoms table 658 Pi bonds and atoms with pi bonds 137 xxiv• <strong>CambridgeSoft</strong>
Pi bonds table 649, 659 PI keyword 168 Pi orbital SCF computation 673 Pi system SCF equations 137 PIATOMS.TBL see Pi atoms table PIBONDS.TBL see Pi bonds table Picture boxes, creating 259 Picture fields 290 Picture tool 259 Pictures 259 framing 342 of structures 298 preferences 342 reading 259 saving 260 saving ChemDraw drawings as 298 searching 298 updating 259 Pivoting a table 435 Plain text tool 258 Planarity 103 Plates, browsing 368 Plates, configuring 367 Plotting searches 306 PM3 146, 165, 196 PNG file format 117 Polarizability 184 Pop-up information 101 Portal database 293 Positioning by bond angles 81 Positioning by dihedral angle 82 Positioning example 81 PostScript files, background color 88 Potential energy function, choosing 144, 163 Potential energy surfaces (PES) 126, 129 Potential functions parameters 675 PRECISE keyword 167, 168, 179 Precision, in numerical queries 318 Pre-defined substructures 34 Preferences color 342 date display 319 display 341 Preferences (continued) general 343 grid spacing 342 opening 343 picture display 342 recent file list size 344 registration 343 search details 327 search type 326 setting 341 stereochemistry 328 structure display 341 Preferences in ChemFinder/Office 382 Preventing users from creating additional sections of a particular type 550 Previous Record command 285 Previous Users, help for 7 Principal Moments of Inertia, ChemProp Std 206 Print command 114 Printing 114 background color 88 collections 408 multiple collections at once 409 sections 444 Processing the reaction template 364 Product sheets 367 Products in queries 324 searching for 322 Products Only option 367 Program Execution commands 694 Program Execution commands, CAL 694 Properties dialog box, opening 273 selecting 211 sorting 211 tab, GAMESS 202 tab, Gaussian 198 tab, MM2 158 Properties tab 197 Property calculation definition 126 Property filters 211 Property lists 422 Chem3D <strong>ChemOffice</strong> 2005- Index • xxv
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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 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 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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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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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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Administrator • Second Positioned
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Administrator For example, consider
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Administrator 2. Adjust the slider
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Administrator Example: To examine t
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Administrator Chem3D provides two o
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Administrator • Semiempirical Ext
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Administrator A variety of other ba
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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 The procedures assume
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Administrator improvements in each
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Administrator • Overall errors in
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Administrator TRIPLET QUARTET QUINT
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Administrator Screen Element Table
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to see some of the information avai
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Administrator The Table view appear
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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 Customizing Numbers U
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Administrator When the selection to
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Administrator 282•Relational Data
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Administrator The following table s
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Administrator Creating Tables There
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Administrator atoms contained in th
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Administrator The record is permane
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Administrator Context menu options
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Administrator benz OR *bromo* Benze
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Administrator You can organize coll
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Type of Measurement Permitted Units
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Administrator 604 • CambridgeSoft
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Administrator The CS ChemOffice SDK
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Administrator Troubleshooting This
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Page 778 and 779: CAMBRIDGESOFT ChemOffice Desktop to
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Page 784 and 785: DESKTOP CS ChemDraw Chemical Struct
Page 786 and 787: DESKTOP CS Chem3D Molecular Modelin
Page 788 and 789: DESKTOP CS ChemFinder Searching and
Page 790 and 791: DESKTOP CS ChemInfo Reference and C
Page 792 and 793: ENTERPRISE ChemOffice WebServer Ent
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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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