display pdf from byte array c# : How to rotate pdf pages and save Library control component .net azure html mvc ChemBioDraw%20v14%20User%20Guide19-part1453

Note:ToimportCFWfilesintoExcel,savethemwiththe“allowCAL/OLEAutomationaccess”securitysetting
checked.See“SettingSecurityOptions”intheChemBioFinderuserguidefordetails.
Note:StructuressavedasChemFinderXMLfilescanbeimportedintoExcelusingtheadd-in.
Whenyouimportatable,structuredataaretransformedintostructuredrawingsinthefirstcolumn,andallotherfields
areimportedinseparatecolumns.
Toimportatable:
1. InExcel,selectthecellwhereyouwanttheimporttostart.Theupper-leftcorneroftheimportisatthiscell.Datais
filleddownandtotheright.
2. GotoChemOffice14>Import/Export>ImportTable.TheImportTabledialogboxappears.
3. TypeorselectthefilenametoimportandclickOpen.Allrecordsareaddedtoyourworksheet.
Note:Aprogressdialogdisplaystheimportprogress.Youcancanceltheimportprocessatanytimebyclicking
Cancel.OnclickingCancel,youwillbepromptedeitherkeeptherecordswhichwereimported,orcancelthe
importprocessorcontinuewithimporting.
Note:YoucanonlyimportatableintoanewChemOfficeworksheet.
Importinghitlists
YoucansearchrecordsinChemBioFinderandimportthehitliststructureswithdataintoExcelusingtheImport
ChemFinderListcommand.
Toimportahitlist:
1. GotoChemOffice14>Import/Export>ImportChemFinderList.
2. IfyouarepromptedtostartChemBioFinder,clickYes.
3. Inthemessagebox,clickYestoimportthehitlist.TherecordsareimportedintoExcel.
Exportingtables
ChemDraw/ExcelletsyouexporttablestoMDLSDFilesformat.Thefirstcolumnoftheareayouselecttoexport
musthavetheword“Structure”initstopcell.Structuresoutsidethefirstcolumnarediscarded.
Toexportdata:
1. Selectthecellstoexport,includingthecellthatcontainstheword“Structure”.
Note:Youcanexportselectedrowsandcolumnsfromastructuretable.Ensurethatthecellselectioniscontinuous.
Seeexamplesbelow.
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2. GotoChemOffice14>Import/Export>ExportTable.
3. IntheSaveTableTodialogbox,typethefilenameandclickSave.Thestatusbardisplaystheprogress.
SynchronizingTables
YoucansynchronizeatableinyourworksheetwithaChemBioFinderdatabase,forexample,a.CFXfile.Onsyn-
chronizingaChemDraw/tablewithaChemBioFindertable,fields(andtheirdata)intheChemBioFindertablethatare
notintheMSExceltableareaddedtotheMS Exceltable.
Note:ChangesyoumakeinMSExceldonotaffectthetableinChemBioFinder.
Tosynchronizeatable:
1. Selectthetable.
2. GotoChemOffice14>SyncTablewithChemFinderDB.
3. SelecttheChemBioFindertableandclickOpen.
4. SelectthefieldstobeusedformatchingaworksheetrowwiththedatabaserecordandclickOK.
5. Selectthefieldstobeupdated.Toselectmultiplefields,press<Ctrl>+clickeachfield.Selectingfieldsmarked
‘New’willaddacolumntoyourworksheet.
6. ClickOK.
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Addingstructures
YoucanaddchemicalstructurestoaworksheetfromanyfileformatthatChemBioDrawsupports.ChemDraw/Excel
assignsthechemicalformulaasstructurenamewhichcanbechangedbyusingtheNameMoleculecommand.
Thesimplestwaytoinsertanewstructureinacellisbydouble-clickingacell.
1. CreateaChemOfficeworksheet.
2. Double-clickinacell.ChemDraw/Exceldisplaysadialogaskingyouifyouwanttoaddastructuretothecell.
3. ClickYes.ChemBioDrawopens.
4. DrawastructureandgotoFile>Closeorpress<Ctrl>+<W>toreturntoChemDraw/Excel.Structureappearson
theworksheet.
Note:Double-clickingastructure(orcellcontainingastructure)onaworksheetwillstartstructureeditingin
ChemBioDraw.
Addingastructurefromafile
1. InExcel,selectthecellintowhichyouwanttoaddthestructure.
2. GotoChemOffice14>Molecule>Load.TheChooseMoleculeToLoaddialogboxappears.
3. TypeorselectthefilenameofthestructureandclickOpen.
Thefollowingformatsaresupported:
ChemBioDraw(*.cdx)
MDLRxn(*.rxn)
ChemBioDrawXML(*.cdxml)
MDLGraphic(*.tgf)
ChemDraw3.5(*.chm)
ConnectionTable(*.ct)
ChemBio3DXML(*.c3xml)
MSIMolfile(*.msm)
MDLMolfile(*.mol)
SMD4.2(*.smd)
MDLSketch(*.skc)
SMILESstrings
YoucaninsertSMILESstringsintocellsandconvertthemtostructures.
1. TypeorpastetheSMILESstringsintooneormorecells.
2. Selectthecellstoconvert.
3. GotoChemOffice14>Convert>SMILEStoMolecule.Alternatively,youcanusethecontextmenucommandto
convertSMILEStomolecule.IfthecelldoesnotcontainavalidSMILESstring,awarningindicatingthatthenum-
berofSMILESstringsthatcannotbeconvertedappears.
Inchistrings
YoucaninsertInchistringsintocellsandconvertthemtostructures.
1. TypeorpastetheInchistringsintooneormorecells.
2. Selectthecellstoconvert.
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3. GotoChemOffice14>Convert>InchitoMolecule.IfthecelldoesnotcontainavalidInchistring,anerrormes-
sageappears.
Addingstructuresbyname
Youcantypeorpastechemicalnamesintocellsandconvertthenamestostructures.
1. Enterthenamesintocells.
2. Selectthecellstoconvert.
Tip:YoucanalsoconvertnamesgeneratedfromExcelformulas.
3. SelectChemOffice14>Convert>NameToMolecule.IfthecellcontainsanamethatName=Structsupports,the
structureappearswiththegivennameasthenameofthecell.
Savingstructures
Youcansaveachemicalstructuretoaseparatefile.
1. Intheworksheet,selectthecellcontainingthestructure.
2. GotoChemOffice14>Molecule>Save.TheSavetoFiledialogboxappears.
3. SelectanexistingfileorenteranewfilenameandclickSave.
Thefollowingformatsaresupported:
ChemBioDraw(*.cdx)
ConnectionTable(*.ct)
ChemBioDrawXML(*.cdxml)
MSIMolfile(*.msm)
ChemDraw3.5(*.chm)
SMD4.2(*.smd)
ChemBio3DXML(*.c3xml)
Metafile(*.wmf)
MDLMolfile(*.mol)
GIF(*.gif)
MDLSketch(*.skc)
TIFF(*.tif)
MDLRxn(*.rxn)
PNG(*.png)
MDLGraphic(*.tgf)
Bitmap(*.bmp)
PostScript(*.eps)
Searching
Youcansearchforstructuresbasedonthecriteriaandsearchfunctionyouuse.ChemDraw/Exceloffersthreebasic
searchfunctions:
Normalsearch
Similaritysearch
R-Groupanalysis
Openingadatabase
Beforesearching,youmustopenastructuredatabase.
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1. InExcel,gotoChemOffice14>NewChemOfficeWorksheet.
2. GotoChemOffice14>Import/Export>ImportTableorImportChemFinderlistandselectthefiletoimport.
Normalsearches
Useanormalsearchtofindfullstructuresandsubstructuresthatmatchtheoneyoudefineinthesearchdialogbox.
1. SelectacellcontainingthelabelStructure.
2. GotoChemOffice14>Search>Normal.TheChemDrawforExceldialogboxappears.
3. SelecttheSearchTab.
4. Clickintheemptywindowanddrawthestructureforwhichyouwanttosearch.
5. SelecttheNormaltabatthebottomofthedialogbox.
6. ForSearchType,selecteitherFullStructureorSubStructure.
7. ForFilterType,selecttoeitherincludeorexcludehits.
8. Enteraformulaquery.
9. ClickSearch.ThehitlistisdisplayedinacolumnnamedMatch.Itemsmatchingthesearchcriteriaarelabeledas
TRUE.
Similaritysearches
Performasimilaritysearchtofindstructureswithfeaturescorrespondingtoastructureofyourchoosing.Formore
informationaboutsimilaritysearching,seetheChemFinderUser’sGuide.
Tosearchforsimilarity:
1. SelectacellcontainingthelabelStructure.
2. GotoChemOffice14>Search>Similarity.TheChemDrawforExceldialogboxappears.
3. SelecttheSearchTab.
4. Clickintheemptywindowanddrawthestructureforwhichyouwanttosearch.
5. SelecttheSimilaritytab.
6. ForSearchType,selecteitherFullStructureorSubStructure.
7. SelecttheSortResultsorder.
8. SelecttheSimilarityPercentvalue.
9. ClickSearch.ThehitlistisdisplayedinacolumnnamedSimilarity.Itemsmatchingthesearchcriteriaarelabeled
asTRUE.
R-Groupanalysis
AnR-groupanalysisreturnsallmoleculesinthequerydatabasethatincludeatemplatestructurethatyouprovide.For
example,assumeyouwanttofindallmoleculesthatincludetolueneinitsstructure,suchasp-cresoloro-xylene
(assumingyourdatabaseincludesthesemolecules).Simplydrawtolueneasyourtemplateandtheanalysiswill
returnallmoleculesthatcontainatleastonetoluenestructure.
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Toillustrate,assumethatyouhaveasmalldatabasecomprisingoffourmolecules:o-,m-,andp-cresol,andbro-
mobenzene.FurtherassumeyouwanttorunanR-groupanalysisonthisdatabasetofindallmoleculesthatcontain
tolueneinitsstructure.Youwillfindthattheresultsincludethreemainparts:
Thelistofmoleculesthatcontainthetoluenetemplate.Inthisexample,theresultsincludeo-,m-,andp-cresol.Bro-
mobenzeneisnotincludedbecauseitdoesnotcontainthetemplate.
ThetoluenetemplatewithallvariationsofR-groupattachmentsthatwerefoundinthedatabase.Inthisexample,
theattachmentsarerepresentedbyfunctionalgroups.ThesearethelocationsoftheR-groupsfoundintheanalysis
results;thehydroxylgroupsforo-,m-,andp-cresol.
ThefunctionalgroupfoundateachRnpositionforeachsearchresult.Foragivenreturnedmolecule,lookacross
itsrowtoviewthefunctionalgroupateachR-groupposition.Inthisexample,thesearchresultsconsistofahydro-
genandhydroxylgroupforR1,R2,andR3.
WorkingwithStructures
ChemDraw/Excelletsyourenamestructuresandusetheclipboardtocut,copy,andpastestructures.
RenamingStructures
Excelrecognizescertaincharactersasformulas.Topreventthesystemfrominterpretingachemicalstructurename
asanExcelformula,youcanrenamethestructure.
Torenameastructure:
1. Selectthestructure.
2. GotoChemOffice14>Molecule>Name.Ifmultiplecellsareselected,gotoChemOffice14>Molecule>NameAll
Selected.TheNameMoleculedialogboxappears.
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Note:YoucanremoveastructurenamebyclickingClear.IfyouselectUseDefault,thenameofthestructurewillbe
replacedbythedefaultnamei.e.ChemicalFormula.
3. TypethenameandclickOK.
UsingtheClipboard
Youcancut,copy,andpastestructuresusingtheclipboard.TheCopyAscommandinChemDraw/Excelletsyou
copyastructureasInChI,InChIkey,orSMILESstring.
Tocutastructurefromacell:
1. Selectthestructure.
2. GotoChemOffice14>Molecule>Cut.Thestructureisplacedontheclipboard.WhenyouselectPaste,thestruc-
turewillberemovedfromthecellandpastedinthespecifiedcell.
Tocopyastructurefromacell:
1. Selectthestructure.
2. GotoChemOffice14>Molecule>Copy.
Thestructureremainsinthecellandacopyisplacedontheclipboard.
TocopyastructureasInChI,InChIkey,orSMILES:
1. Selectthestructure.
2. GotoChemOffice14>Molecule>CopyAsandselectfromtheseoptions:
InChI
InChIKey
SMILES
Thestructureremainsinthecellandacopyinthedesiredstringformatisplacedontheclipboard.
Topasteastructureinacell:
1. Selectthecellwhereyouwanttopastethestructure.
2. GotoChemOffice14>Molecule>Paste.Thestructureispastedfromtheclipboard.
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DisplayingStructures
Youcandisplayorhidestructuresinyourspreadsheet.Youcanalsoadjustthesizeofcellstodisplaytheirentirecon-
tents.
Toshoworhidestructures:
1. Selectthestructures.
2. SelectChemOffice14>Structure>ShoworHide.
AligningStructures
Astructuremaybetoobigforitscellorbeimproperlypositioned.
Toalignstructures,selectthecellthatcontainsthestructureandgotoChemOffice14>Structure>Align.Thecells
adjusttodisplaytheircontents.
ResizingStructures
1. Selectthecell(s)whosestructure(s)youwanttoresize.
2. GotoChemOffice14>Structure>Resize.Resizehandlesappearontheselectedstructures.
3. Click-dragtheresizehandlestoresizeastructure.Anychangesyoumaketoapictureisproportionatelyreflected
intheotherstructures.
4. Toendresizing,clickacellandthestructuresaredeselected.
Bydefault,thestructure’sresizepropertyissetto‘MoveandResizewithcells’toavoidbunchedupstructures.
Tochangetheresizepropertyortoallowstructureovelapping(Excel2007):
1. Selectthecellswhosestructuresyouwanttoresize.
2. GotoChemOffice14>Structure>Resize.Resizehandlesappearontheselectedstructures.
3. Right-clickandselectSizeandPropertiesfromthecontextmenu.
4. ClickonthePropertiestab.
5. SelectDon’tmoveorsizewithcells.
6. ClickClose.
ChemDraw/ExcelFunctions
ChemDraw/ExcelsuppliesalibraryoffunctionsthatreturnchemicalpropertiesofstructuresinaChemDraw/Excel
worksheet.
ToinsertaChemDraw/Excelfunctionintoyourworksheet:
1. Selectthetargetcell.
2. GotoChemOffice14>ChemBioDrawFunctions(Options>ChemBioDrawFunctionsinExcel2010).The
ChemDrawforExceldialogboxappears.
3. Double-clickthefunctionyouwanttoinsertfromthelistavailableintheFunctionstab.AFunctionsArgumentdia-
logboxappears.
4. Selectthestructure.
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5. ClickOK.
Eachpropertyiscalculatedusingthe“bestavailable”method.Ifthecellreferenceargumentdoesnotpointtoavalid
structurecell,#N/Aappearsinthecell.
AllChemDraw/Excelfunctionsaredescribedbelow.
Chemicalname
DisplayssystematicnamesforchemicalstructureswithsupportfortheCahn-Ingold-Prelogrulesforste-
reochemistry.
Function
CFW_CHEMICAL_NAME(cellref)
Example
Incell:=CFW_CHEMICAL_NAME(A2)
Result:1-(2,3-dihydro-1H-inden-2-yl)propan-2-one
Note:SomePerkinElmerInformaticsproductpackagesandlevelsallowunlimitedstructure-to-namecon-
versions,whileothersimposeadailylimit.
Chemicalcomposition
Whenthisfunctioniscalledwithjustacellreference,itdisplaystheelementalpercentbyweightforallelementsin
thestructure.Whenthisfunctioniscalledwithacellreferenceandanatomicsymbol,itdisplaysthefractionby
weightofthegivenelementinthestructure.
Functions
CHEM_COMPOSITION(cell ref)
CHEM_COMPOSITION(cellref,atomicsymbol)
Examples
Incell:=CHEM_COMPOSITION(A2)
Result:C,82.72;H,8.10;O,9.18
Incell:=CHEM_COMPOSITION(A2, "C")
Result:0.827188133
Chemicalformula
Displaysthechemicalformulaforthestructure(s)inthecell.
Functions
CHEM_FORMULA(cellref)
CHEMPROPSTD_MOL_FORMULA(cellref)
Examples
Incell:=CHEM_FORMULA(A2)
Result:C12H14O
Incell:=CHEMPROPSTD_MOL_FORMULA(A2)
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Result:C12H14O
Molecularweight
Displaystheaveragemolecularmassofthestructure,whereatomicmassesarebasedontheweightedaverageofall
isotopemassesfortheelement.
Units
atomicmassunits
Functions
CHEM_MOLWEIGHT(cellref)
CHEMPROPSTD_MOL_WEIGHT(cellref)
CHEMPROPSTD_MASS(cellref)
Examples
Incell:=CHEM_MOLWEIGHT(A2)
Result:174.23896
Incell:=CHEMPROPSTD_MOL_WEIGHT(A2)
Result:174.238960
Incell:=CHEMPROPSTD_MASS(A2)
Result:174.238960
Exactmass
Displaystheexactmolecularmassofthemolecule,whereatomicmassesofeachatomarebasedonthemostcom-
monisotopefortheelement.
Units
g/mole
Function
CHEMPROPSTD_EXACT_MASS(cellref)
Example
Incell:=CHEMPROPSTD_EXACT_MASS(A2)
Result:174.104465
Numberofatoms
Whenthisfunctioniscalledwithjustacellreference,itdisplaysthetotalnumberofatomsinthestructure.Whenthis
functioniscalledwithacellreferenceandanatomicsymbol,itdisplaysthenumberofatomsofthegivenelementin
thestructure.
Functions
CHEM_NUM_ATOMS(cellref)
CHEM_NUM_ATOMS(cellref,atomicsymbol)
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