ChemDraw User's Manual - CambridgeSoft

More documents

Recommendations

Info

DESKTOPCS Chem3DMolecular Modeling and AnalysisChem3D Ultra includes MOPAC, Tinker and set-up/control interfaces for optional use of GAMESS andGaussian. Estimate advanced physical properties with CLogP and ChemProp, and create SAR tables usingproperty servers to generate data for lists of compounds. Use ChemSAR/Excel to explore structure activityrelationships and use add-on Conformer for conformational searching. Publish and view models on the webusing the Chem3D Plugin.Chem3D Pro brings workstation quality molecular visualization and display to your desktop. ConvertChemDraw and ISIS/Draw sketches into 3D models. View molecular surfaces, orbitals, electrostatic potentials,charge densities and spin densities. Use built-in extended Hückel to compute partial atomic charges. Use MM2to perform rapid energy minimizations and molecular dynamics simulations. ChemProp estimates physicalproperties such as logP, boiling point, melting point and more. Visualize Connolly surface areas andmolecular volumes.Molecular Modeling & AnalysisLarge MolecularVisualization
SOFTWAREChem3D UltraUltimate Modeling, Visualization & Analysis• Adds MOPAC, CLogP, Tinker, ChemProp,ChemSAR& Chem3D Plugin to Chem3D Pro•Includes GAMESS & Gaussian client interfaces• ChemSAR/Excel builds SAR tablesChem3D ProPremier Modeling, Visualization & Analysis•Create 3D models from ChemDraw or ISIS Draw, accepts output from other modeling packages• Model types: space filling CPK, ball & stick, stick, ribbons, VDW dot surfaces & wire frame• Compute & visualize partial charges, 3Dsurface properties & orbital mapping• Polypeptide builder with residue recognition• ChemProp—Basic property predictions with Connolly volumes & surface areas• MM2 minimization & molecular dynamics, extended Hückel MO calculations• Supports: PDB, MDL Molfile, Beilstein ROSDAL, Tripos SYBYL MOL, EPS, PICT, GIF, 3DMF, TIFF, PNG & moreMOPAC/Chem3DAdvanced Semi-Empirical Computation• Calculate ∆H f , solvation energy, dipoles, charges, UHF & RHF spin densities, MEP, charge densities & more• Optimize transition state geometries• AM1, PM3, MNDO & MINDO/3 methodsCAMEO/ChemDrawSynthetic Reaction Prediction• Expert system predicts and displays products• ChemDraw creates starting materials when you choose reaction conditions; sold separatelyChem3D PluginAdvanced WWW Model Client•Works with Microsoft Internet Explorer•Visualize 3D molecules on ChemFinder.ComSYSTEMS & LANGUAGESWindows & Macintosh English & JapaneseWindows: 95, 98, Me, NT, 2000, XPMacintosh: MacOS 8.6-9.2.XSome features are Windows only.All specifications subject to change without notice.EMAIL info@cambridgesoft.com WWW www.cambridgesoft.comTEL 1 800 315–7300 INT’L 1 617 588–9300 FAX 1 617 588–9390MAIL CambridgeSoft Corporation 100 CambridgePark Drive Cambridge, MA 02140 USAChemOffice, ChemDraw, Chem3D, ChemFinder & ChemInfo are trademarks of CambridgeSoft ©2002.All other trademarks are the property of their respective holders. All specifications subject to change without notice.
Page 1 and 2:
ChemOffice.Com®ChemDraw®Chemical
Page 3 and 4:
License InformationChemOffice, Chem
Page 5 and 6:
· Licensed users of ChemOffice Ent
Page 7 and 8:
computer, except as provided below.
Page 9 and 10:
Q: IS IT OK TO COPY MY COLLEAGUE’
Page 11 and 12:
A Guide to CambridgeSoft ManualsAnd
Page 13 and 14:
ContentsIntroductionWhat’s New in
Page 15 and 16:
Method 2: Labeling an atom by point
Page 17 and 18:
Chapter 10: Drawing Query Structure
Page 19 and 20:
Searching. . . . . . . . . . . . .
Page 21 and 22:
Administratorthey are presented. Ex
Page 23 and 24:
Administrator12•IntroductionCambr
Page 25 and 26:
The Mac GUI is shown below.Administ
Page 27 and 28:
ToolUse to…AdministratorQueryTool
Page 29 and 30:
AdministratorChemDraw window. Undoc
Page 31:
AdministratorDouble-clicking on an
Page 36 and 37:
3. Click the checkbox next to Autos
Page 38 and 39:
a file as a different format is use
Page 40 and 41:
QuickDraw is the graphical format t
Page 42 and 43:
Chapter 2: TutorialsOverviewThe tut
Page 44 and 45:
.2. Double-click the atom.The hand
Page 46 and 47:
3. Click the third arrow from the l
Page 48 and 49:
2. Press the Enter or Return key to
Page 50 and 51:
.Add second and third bonds:1. Poin
Page 52 and 53:
Refine the shape of the arrow:1. Po
Page 54 and 55:
4. Click each of the atoms shown be
Page 56 and 57:
4. Select a folder in which to save
Page 58 and 59:
Add labels to C1 and C6:3. Point to
Page 60 and 61:
3. Click Paste to paste the informa
Page 62 and 63:
2. Hold the mouse button and drag u
Page 64 and 65:
Save and close the document:1. From
Page 66 and 67:
The size of the orbital is constrai
Page 68 and 69:
8. Click the Wedged Bond tool, poin
Page 70 and 71:
Chapter 3: Drawing ChemicalStructur
Page 72 and 73:
Adjustthis…If you want to …The
Page 74 and 75:
You can use the tools on the Multip
Page 76 and 77:
To draw a wedged bond:1. Click one
Page 78 and 79:
If you click an atom in a ring, a s
Page 80 and 81:
• Press the Ctrl or Command key w
Page 82 and 83:
To convert ring types:1. With a bon
Page 84 and 85:
Chapter 4:UltraStructNameStructName
Page 86 and 87:
Converting Names toStructuresThere
Page 88 and 89:
category ChemDraw 8 supports... Che
Page 90 and 91:
Chapter 5: Drawing Captions andAtom
Page 92 and 93:
• Subscript—Reduces the text by
Page 94 and 95:
If you label C4, the second and thi
Page 96 and 97:
5. To close the text box, click out
Page 98 and 99:
4. The margin width is applied to a
Page 100 and 101:
Hard-Coded HotKeysYou cannot edit h
Page 102 and 103:
To edit atom number text:1. Click t
Page 104 and 105:
Chapter 6: Drawing Orbitals,Symbols
Page 106 and 107:
To draw a single lobe orbital:1. Ho
Page 108 and 109:
To draw an H-dot or an H-dash:1. Ho
Page 110 and 111:
The Arrow ToolsPaletteUse the Arrow
Page 112 and 113:
Drawing LinesLines drawn with the l
Page 114 and 115:
Some examples of shapes that you ca
Page 116 and 117:
Deleting a SegmentTo delete a curve
Page 118 and 119:
If you wantto...then...If you wantt
Page 120 and 121:
Chapter 7: Manipulating DrawingsOve
Page 122 and 123:
Selecting Entire StructuresTo selec
Page 124 and 125:
The unselected bonds that are attac
Page 126 and 127:
Reflecting ObjectsThrough PlanesYou
Page 128 and 129:
3. The current median bond length f
Page 130 and 131:
3. With the group selected, right-c
Page 132 and 133:
Chapter 8: Advanced DrawingTechniqu
Page 134 and 135:
Am Amyl AmericiumNp para-NeptuniumN
Page 136 and 137:
ProExpanding LabelsMulti-Attached L
Page 138 and 139:
3. Double-click on the cyclopentadi
Page 140 and 141:
If you select only part of a struct
Page 142 and 143:
Customizing the ColorPaletteYou can
Page 144 and 145:
2. Click a color in the Color Wheel
Page 146 and 147:
A new and untitled Template window
Page 148 and 149:
Chapter 9: Working WithStructuresOv
Page 150 and 151:
Propertym/zDescriptionMass/charge,
Page 152 and 153:
3. Click the appropriate Position o
Page 154 and 155:
To create a report and view results
Page 156 and 157:
ProExpand GenericStructuresYou can
Page 158 and 159:
The assigned atoms or bonds are hig
Page 160 and 161:
Chapter 10:StructuresProDrawing Que
Page 162 and 163:
• From the Structure menu, choose
Page 164 and 165:
OptionSimple ringSearch ResultFinds
Page 166 and 167:
Abnormal ValenceThe Abnormal Valenc
Page 168 and 169:
The Bond Type options are described
Page 170 and 171:
In the table below, points are may
Page 172 and 173:
To Position …from the atom or bon
Page 174 and 175:
. Not necessarily carbon (a generic
Page 176 and 177:
A structure-based representation of
Page 178 and 179:
Because of its prevalence the No Fl
Page 180 and 181:
However, you are not interested in
Page 182 and 183:
Always Display and PrintAtom Mappin
Page 184 and 185:
ExportedQueryPropertiesISIS Mol Rxn
Page 186 and 187:
ExportedQueryPropertiesISIS Mol Rxn
Page 188 and 189:
Chapter 11: Working With PageLayout
Page 190 and 191:
To create headers and footers:1. Fr
Page 192 and 193:
Saving Page Setup SettingsYou can s
Page 194 and 195:
A check mark appears next to the Sh
Page 196 and 197:
Aligning ObjectsUse the Align comma
Page 198 and 199:
The table appears in the document w
Page 200 and 201:
7. Press Tab again to create a thir
Page 202 and 203:
Chapter 12: Sharing InformationOver
Page 204 and 205:
A clipping file or a scrap file is
Page 206 and 207:
pasted in other types of documents.
Page 208 and 209:
• SMDFormat Import ExportChemDraw
Page 210 and 211:
.opened in versions 3.0, 3.0.1, 3.0
Page 212 and 213:
For single step single or multi-lin
Page 214 and 215:
different computers rather than usi
Page 216 and 217:
Transferring ChemDrawDocuments Acro
Page 218 and 219:
Chapter 13: ChemDraw/ExcelThe ChemD
Page 220 and 221:
mats, but you may get error message
Page 222 and 223:
Adding Structures withChemDrawThe C
Page 224 and 225:
3. Select the search options:If you
Page 226 and 227:
Aligning StructuresA structure may
Page 228 and 229:
FunctionActionCHEM.COMPOSITION Retu
Page 230 and 231:
AppendicesThis section contains the
Page 232 and 233:
Appendix A: Accessing theCambridgeS
Page 234 and 235:
Follow the links to do substructure
Page 236 and 237:
You can search SciStore.Com for che
Page 238 and 239:
Appendix B: Technical SupportOvervi
Page 240 and 241:
4. If the problem still occurs, use
Page 242 and 243:
Appendix C: The Chemistry ofChemDra
Page 244 and 245:
+*/A series of anyCH 2 COOC(OPh) 3c
Page 246 and 247:
Isotopes and ElementsBy default, Ch
Page 248 and 249:
CIP rules are designed to order lig
Page 250 and 251:
• Critical messages that may affe
Page 252 and 253:
MessageThis label has anunrecognize
Page 254 and 255:
Appendix D:WorksUltraHow ChemNMROve
Page 256 and 257:
Appendix E:WorksProHow ChemPropChem
Page 258 and 259:
Appendix F: Shortcuts andHotkeysSho
Page 260 and 261:
Enter...to execute Command...Enter.
Page 262 and 263: Enter...to execute Command...Enter.
Page 264 and 265: HotkeyResultHotkeyResultTOTsxX1 n-B
Page 266 and 267: Appendix G: Document SettingsCreati
Page 268 and 269: Drawing, Atom Label, and Caption Te
Page 278 and 279: Appendix H: Chemistry FileFormatsOv
Page 280 and 281: Double bonds are bit encoded using
Page 282 and 283: IndexNumerics13C, 1 H shifts, estim
Page 284 and 285: Bond Propertiesdefining 155descript
Page 286 and 287: Chemical Warnings (continued)suppre
Page 288 and 289: Deletingatom labels 87Backspace key
Page 290 and 291: File format (continued)CTR 198cts 2
Page 292 and 293: Inserting (continued)rows in tables
Page 294 and 295: Nicknames (continued)overview 121tr
Page 296 and 297: Printing (continued)ChemDraw Laser
Page 298 and 299: Saving customized settings 21Scalec
Page 300 and 301: System requirements 11TTable tool 1
Page 302 and 303: Use Defaults (continued)bond proper
Page 304 and 305: CAMBRIDGESOFTChemOffice Desktop toK
Page 306 and 307: CS ChemOfficeSoftware SuitesChemOff
Page 308 and 309: DESKTOPCS E-NotebookElectronic Jour
Page 310 and 311: DESKTOPCS ChemDrawChemical Structur
Page 314 and 315: DESKTOPCS ChemFinderSearching and I
Page 316 and 317: DESKTOPCS ChemInfoReference and Che
Page 318 and 319: ENTERPRISEChemOffice WebServerEnter
Page 320 and 321: ENTERPRISEOracle CartridgeEnterpris
Page 322 and 323: KNOWLEDGEE-Notebook EnterpriseDeskt
Page 324 and 325: KNOWLEDGEDocument ManagerDesktop to
Page 326 and 327: KNOWLEDGE21CFR11 ComplianceElectron
Page 328 and 329: RESEARCH&Registration SystemChemica
Page 330 and 331: RESEARCH&Inventory ManagerChemical
Page 332 and 333: RESEARCH&CombiChem EnterpriseDeskto
Page 334 and 335: RESEARCH&BioAssay HTSBiological Ass
Page 336 and 337: RESEARCH&BioSAR BrowserBiological a
Page 338 and 339: CHEMICALChemACX DatabaseAvailable C
Page 340 and 341: CHEMICALThe Merck IndexChemistry’
Page 342 and 343: CHEMICALChemical DatabasesReference
Page 344 and 345: CONSULTING &Consulting & ServicesDe
Page 347: CS Software Problem ReportFor faste
show all

ChemDraw User's Manual - CambridgeSoft

Create successful ePaper yourself

Delete template?

Save as template?