diff --git a/MWTWIN.BAS b/MWTWIN.BAS index 8190bd4..c94d544 100644 --- a/MWTWIN.BAS +++ b/MWTWIN.BAS @@ -30,7 +30,7 @@ Option Explicit ' *** Be sure to update version in Project | Properties also *** Public Const PROGRAM_VERSION = "6.48" -Public Const PROGRAM_DATE = "October 10, 2010" +Public Const PROGRAM_DATE = "August 10, 2011" ' *** ' diff --git a/MWT_ELEM.bak b/MWT_ELEM.bak index ba7135e..782c367 100644 --- a/MWT_ELEM.bak +++ b/MWT_ELEM.bak @@ -1,4 +1,4 @@ -; Elements File for MWTWIN program (v6.47) +; Elements File for MWTWIN program (v6.48) ; ; Comments may be added by preceding with a semicolon ; The heading [ELEMENTWEIGHTTYPE] 1 signifies that Average Elemental Weights are diff --git a/MWT_VALU.bak b/MWT_VALU.bak index faf5a75..16278b1 100644 --- a/MWT_VALU.bak +++ b/MWT_VALU.bak @@ -2,8 +2,8 @@ ; ; File Automatically Created -- Select Save Values and Formulas under the Options Menu ; -Formula0=BrCH2(CH2)7CH2Br -Formula1=FeCl3-6H2O +Formula0=C2H3NO +Formula1=C2H2O Formula2=Co(Bpy)(CO)4 Formula3=^13C6H6-.1H2O Formula4=HGlyLeuTyrOH @@ -130,11 +130,11 @@ IonComparisonPlotColor=255 IonComparisonPlotType=0 IonComparisonPlotNormalize=1 FinderAction=0 -FinderMWT=200 +FinderMWT=515.343 FinderPercentMaxWeight=400 -FinderPPM=0 +FinderPPM=1 FinderShowDeltaMass=1 -FinderWtTolerance=0.05 +FinderWtTolerance=15 FinderPercentTolerance=1 FinderMaxHits=100 FinderSortResults=1 @@ -149,48 +149,48 @@ FinderHighlightText=0 FinderAutoBoundsSet=1 FinderSortMode=0 FinderMin0=0 -FinderMax0=10 +FinderMax0=44 FinderCheckElements0=1 FinderPercentValue0=Percent FinderMin1=0 -FinderMax1=10 +FinderMax1=257 FinderCheckElements1=1 FinderPercentValue1=Percent FinderMin2=0 -FinderMax2=10 +FinderMax2=38 FinderCheckElements2=1 FinderPercentValue2=Percent FinderMin3=0 -FinderMax3=10 +FinderMax3=33 FinderCheckElements3=1 FinderPercentValue3=Percent FinderMin4=0 -FinderMax4=10 +FinderMax4=20 FinderCheckElements4=0 FinderPercentValue4=Percent FinderCustomWeight1=# or Element or Abbrev. FinderMin5=0 -FinderMax5=10 +FinderMax5=20 FinderCheckElements5=0 FinderPercentValue5=Percent FinderCustomWeight2=# or Element or Abbrev. FinderMin6=0 -FinderMax6=10 +FinderMax6=20 FinderCheckElements6=0 FinderPercentValue6=Percent FinderCustomWeight3=# or Element or Abbrev. FinderMin7=0 -FinderMax7=10 +FinderMax7=20 FinderCheckElements7=0 FinderPercentValue7=Percent FinderCustomWeight4=# or Element or Abbrev. FinderMin8=0 -FinderMax8=10 +FinderMax8=20 FinderCheckElements8=0 FinderPercentValue8=Percent FinderCustomWeight5=# or Element or Abbrev. FinderMin9=0 -FinderMax9=10 +FinderMax9=20 FinderCheckElements9=0 FinderPercentValue9=Percent FinderCustomWeight6=# or Element or Abbrev. @@ -206,7 +206,7 @@ FragModelModificationSymbol8=%,236.127,False,Cleavable ICAT [(^13C9)(^12C)H17N3O FragModelModificationSymbol9=~,442.225,False,ICAT D0 [C20H34N4O5S] FragModelModificationSymbol10=`,450.274,False,ICAT D8 [C20H26D8N4O5S] FragModelNotationMode=0 -FragModelSequence=TGMLTQKFARSLGMLAVDNQARV +FragModelSequence=R.ET*DPDRGEC!GC!AAPPVEAGAGERGC!VGGLAPLSTVPFS*C!S*QRLM.- FragModelNTerminus=0 FragModelCTerminus=0 FragModelIonType0=0 @@ -225,9 +225,9 @@ FragModelDoubleChargeThreshold=8 FragModelTripleCharge=0 FragModelTripleChargeThreshold=9 FragModelPrecursorIonRemove=1 -FragModelPrecursorIonMass=300 +FragModelPrecursorIonMass=2808.52 FragModelPrecursorIonMassWindow=2 -FragModelIonMatchWindow=0.5 +FragModelIonMatchWindow=0.3 FragModelIonIntensity0=10 FragModelIonIntensity1=50 FragModelIonIntensity2=50 @@ -245,127 +245,1057 @@ 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+1950.27551,294.32 +1950.87708,63.24 +1951.98596,244.96 +1970.32727,101.68 +1980.65906,353.5 +1991.99963,101 +1992.75671,340.56 FragModelIonMatchListEnd -FragModelIonMatchListCaption=QC_Shew_08_04_pt5_: Scan 367-368 +FragModelIonMatchListCaption=EDRN_VCap_pellet_A: Scan 10841 FragModelIonAlignment=0 [PlotOptions_Series1] SeriesPlotMode=1 diff --git a/MsiSetup/MwtWinMsiSetup.cache b/MsiSetup/MwtWinMsiSetup.cache index 74f1e53..947a44f 100644 Binary files a/MsiSetup/MwtWinMsiSetup.cache and b/MsiSetup/MwtWinMsiSetup.cache differ diff --git a/MsiSetup/MwtWinMsiSetup.wip b/MsiSetup/MwtWinMsiSetup.wip index 5dcb61d..0426861 100644 Binary files a/MsiSetup/MwtWinMsiSetup.wip and b/MsiSetup/MwtWinMsiSetup.wip differ diff --git a/MwtWinDll/MwtWinDll_MergeModule/MwtWinDll_MergeModule.cache b/MwtWinDll/MwtWinDll_MergeModule/MwtWinDll_MergeModule.cache index ab8239a..7241062 100644 Binary files a/MwtWinDll/MwtWinDll_MergeModule/MwtWinDll_MergeModule.cache and b/MwtWinDll/MwtWinDll_MergeModule/MwtWinDll_MergeModule.cache differ diff --git a/MwtWinDll/MwtWinDll_MergeModule/MwtWinDll_MergeModule.wip b/MwtWinDll/MwtWinDll_MergeModule/MwtWinDll_MergeModule.wip index 301cbcf..9442ceb 100644 Binary files a/MwtWinDll/MwtWinDll_MergeModule/MwtWinDll_MergeModule.wip and b/MwtWinDll/MwtWinDll_MergeModule/MwtWinDll_MergeModule.wip differ diff --git a/MwtWinDll/MwtWindll.dll b/MwtWinDll/MwtWindll.dll index e98f7a5..a3a5b5e 100644 Binary files a/MwtWinDll/MwtWindll.dll and b/MwtWinDll/MwtWindll.dll differ diff --git a/MwtWinDll/MwtWindll.exp b/MwtWinDll/MwtWindll.exp index f5ac17d..e5233e0 100644 Binary files a/MwtWinDll/MwtWindll.exp and b/MwtWinDll/MwtWindll.exp differ diff --git a/MwtWinDll/MwtWindll.lib b/MwtWinDll/MwtWindll.lib index e7527da..62c9426 100644 Binary files a/MwtWinDll/MwtWindll.lib and b/MwtWinDll/MwtWindll.lib differ diff --git a/MwtWinDll/MwtWindll.vbp b/MwtWinDll/MwtWindll.vbp index 53148c7..466cba0 100644 --- a/MwtWinDll/MwtWindll.vbp +++ b/MwtWinDll/MwtWindll.vbp @@ -1,6 +1,6 @@ Type=OleDll -Reference=*\G{00020430-0000-0000-C000-000000000046}#2.0#0#C:\WINDOWS\system32\stdole2.tlb#OLE Automation -Reference=*\G{F935DC20-1CF0-11D0-ADB9-00C04FD58A0B}#1.0#0#C:\WINDOWS\SysWOW64\wshom.ocx#Windows Script Host Object Model +Reference=*\G{00020430-0000-0000-C000-000000000046}#2.0#0#C:\Windows\SysWOW64\stdole2.tlb#OLE Automation +Reference=*\G{F935DC20-1CF0-11D0-ADB9-00C04FD58A0B}#1.0#0#C:\Windows\SysWOW64\wshom.ocx#Windows Script Host Object Model Class=MolecularWeightCalculator; clsMwtWin.cls Class=MWCompoundClass; clsCompound.cls Class=MWPeptideClass; clsPeptideClass.cls @@ -21,7 +21,7 @@ CompatibleMode="0" CompatibleEXE32="MwtWindll.dll" MajorVer=2 MinorVer=37 -RevisionVer=76 +RevisionVer=78 AutoIncrementVer=1 ServerSupportFiles=0 VersionComments="Written by Matthew Monroe" diff --git a/MwtWinDll/RevisionHistory.txt b/MwtWinDll/RevisionHistory.txt index 900123f..205199e 100644 --- a/MwtWinDll/RevisionHistory.txt +++ b/MwtWinDll/RevisionHistory.txt @@ -1,5 +1,11 @@ MwtWin.Dll Change Log +Version 2.37, Build 77; August 5, 2011 + - Recompiled due to new computer OS + +Version 2.37, Build 76; October 18, 2010 + - Recompiled due to new computer OS + Version 2.37, Build 75; October 10, 2010 - Now checking for PredictedConvIterations in ComputeIsotopicAbundancesInternal surpassing the 32-bit integer boundary (2147483647) - Now checking for the Iteration tracking variable in ConvoluteMasses surpassing the 32-bit integer boundary diff --git a/MwtWinDll/clsMwtWin.cls b/MwtWinDll/clsMwtWin.cls index 60c5f20..e24c537 100644 --- a/MwtWinDll/clsMwtWin.cls +++ b/MwtWinDll/clsMwtWin.cls @@ -23,7 +23,7 @@ Option Explicit ' ' Project started: November 12, 2002 -Private Const PROGRAM_DATE = "October 10, 2010" +Private Const PROGRAM_DATE = "August 5, 2011" Private Const PROGRAM_VERSION = "2.37" ' Duplicate of enum statements in ElementAndMassRoutines.bas diff --git a/Mwtwin.vbp b/Mwtwin.vbp index 238f3a0..b076419 100644 --- a/Mwtwin.vbp +++ b/Mwtwin.vbp @@ -1,11 +1,11 @@ Type=Exe -Reference=*\G{ADB880A2-D8FF-11CF-9377-00AA003B7A11}#4.0#0#C:\WINDOWS\SysWow64\hhctrl.ocx#HHCtrl 4.0 Type Library -Reference=*\G{F935DC20-1CF0-11D0-ADB9-00C04FD58A0B}#1.0#0#C:\WINDOWS\SysWOW64\wshom.ocx#Windows Script Host Object Model -Reference=*\G{C4BE505F-B909-4F29-9F14-365325BDB989}#2e.0#0#C:\WINDOWS\SysWOW64\CWSpectrumDll.dll#CWSpectrumDLL -Reference=*\G{2779F0A5-153F-49E8-BDA8-2417488A54A3}#1.0#0#MwtWindll.dll#Molecular Weight Calculator - Dll Version -Object={5E9E78A0-531B-11CF-91F6-C2863C385E30}#1.0#0; msflxgrd.ocx +Reference=*\G{ADB880A2-D8FF-11CF-9377-00AA003B7A11}#4.0#0#C:\Windows\System32\hhctrl.ocx#HHCtrl 4.0 Type Library +Reference=*\G{F935DC20-1CF0-11D0-ADB9-00C04FD58A0B}#1.0#0#C:\Windows\SysWOW64\wshom.ocx#Windows Script Host Object Model +Reference=*\G{C4BE505F-B909-4F29-9F14-365325BDB989}#2e.0#0#..\CWSpectrumDLL\CWSpectrumDll.dll#CWSpectrumDLL +Reference=*\G{15DA4CC0-1F76-44AF-AE46-D943EA06917F}#1.0#0#MwtWinDll\MwtWindll.dll#Molecular Weight Calculator - Dll Version +Object={5E9E78A0-531B-11CF-91F6-C2863C385E30}#1.0#0; MSFLXGRD.OCX Object={3B7C8863-D78F-101B-B9B5-04021C009402}#1.2#0; richtx32.Ocx -Object={F9043C88-F6F2-101A-A3C9-08002B2F49FB}#1.2#0; comdlg32.ocx +Object={F9043C88-F6F2-101A-A3C9-08002B2F49FB}#1.2#0; COMDLG32.OCX Form=mwtwin.frm Module=MwtWinProcedures; MWTWIN.BAS Form=ABOUT.FRM @@ -53,7 +53,7 @@ Description="Molecular Weight Calculator for Windows, v6.41" CompatibleMode="0" MajorVer=6 MinorVer=48 -RevisionVer=238 +RevisionVer=241 AutoIncrementVer=1 ServerSupportFiles=0 VersionComments="by Matthew Monroe " diff --git a/Mwtwin.vbw b/Mwtwin.vbw index ea600ab..f8313d6 100644 --- a/Mwtwin.vbw +++ b/Mwtwin.vbw @@ -1,5 +1,5 @@ frmMain = 0, 0, 0, 0, C, 132, 174, 855, 641, C -MwtWinProcedures = 88, 116, 1011, 553, Z +MwtWinProcedures = 88, 116, 1011, 553, frmAboutBox = 0, 0, 0, 0, C, 44, 58, 767, 525, C frmChangeFont = 0, 0, 0, 0, C, 66, 87, 789, 554, C frmChangeValue = 0, 0, 0, 0, C, 88, 116, 811, 583, C @@ -22,7 +22,7 @@ modSharedVBRoutines = 44, 58, 967, 495, frmSetValue = 0, 0, 0, 0, C, 66, 87, 789, 554, C frmFragmentationModelling = 154, 203, 1490, 753, , 88, 116, 811, 583, C frmIonMatchOptions = 0, 0, 0, 0, C, 110, 145, 833, 612, C -frmFinder = 0, 0, 0, 0, C, 132, 174, 855, 641, C +frmFinder = 176, 176, 1083, 635, , 132, 174, 855, 641, C frmIsotopicDistribution = 154, 203, 835, 679, , 154, 203, 877, 670, C frmProgress = 66, 87, 989, 524, , 0, 0, 723, 467, C frmEditAbbrevDetails = 0, 0, 0, 0, C, 22, 29, 745, 496, C diff --git a/RevisionHistory.txt b/RevisionHistory.txt index cb93865..37a648d 100644 --- a/RevisionHistory.txt +++ b/RevisionHistory.txt @@ -517,4 +517,10 @@ Revision 6.47 - October 26, 2009 Revision 6.48 - October 10, 2010 - New version of MwtWindll.dll that avoids overflow errors when computing isotopic distributions for large compounds - - Example: C489 H300 F27 Fe8 N72 Ni6 O27 S9 \ No newline at end of file + - Example: C489 H300 F27 Fe8 N72 Ni6 O27 S9 + +Revision 6.48 - October 18, 2010 + - Recompiled due to new computer OS + +Revision 6.48 - August 10, 2011 + - Recompiled due to new computer OS diff --git a/mwt_elem.dat b/mwt_elem.dat index 38c61a4..5e115df 100644 --- a/mwt_elem.dat +++ b/mwt_elem.dat @@ -1,4 +1,4 @@ -; Elements File for MWTWIN program (v6.47) +; Elements File for MWTWIN program (v6.48) ; ; Comments may be added by preceding with a semicolon ; The heading [ELEMENTWEIGHTTYPE] 1 signifies that Average Elemental Weights are diff --git a/mwt_valu.ini b/mwt_valu.ini index faf5a75..34b80aa 100644 --- a/mwt_valu.ini +++ b/mwt_valu.ini @@ -2,8 +2,8 @@ ; ; File Automatically Created -- Select Save Values and Formulas under the Options Menu ; -Formula0=BrCH2(CH2)7CH2Br -Formula1=FeCl3-6H2O +Formula0=C2H3NO +Formula1=C2H2O Formula2=Co(Bpy)(CO)4 Formula3=^13C6H6-.1H2O Formula4=HGlyLeuTyrOH @@ -130,11 +130,11 @@ IonComparisonPlotColor=255 IonComparisonPlotType=0 IonComparisonPlotNormalize=1 FinderAction=0 -FinderMWT=200 +FinderMWT=515.343 FinderPercentMaxWeight=400 -FinderPPM=0 +FinderPPM=1 FinderShowDeltaMass=1 -FinderWtTolerance=0.05 +FinderWtTolerance=15 FinderPercentTolerance=1 FinderMaxHits=100 FinderSortResults=1 @@ -149,48 +149,48 @@ FinderHighlightText=0 FinderAutoBoundsSet=1 FinderSortMode=0 FinderMin0=0 -FinderMax0=10 +FinderMax0=44 FinderCheckElements0=1 FinderPercentValue0=Percent FinderMin1=0 -FinderMax1=10 +FinderMax1=257 FinderCheckElements1=1 FinderPercentValue1=Percent FinderMin2=0 -FinderMax2=10 +FinderMax2=38 FinderCheckElements2=1 FinderPercentValue2=Percent FinderMin3=0 -FinderMax3=10 +FinderMax3=33 FinderCheckElements3=1 FinderPercentValue3=Percent FinderMin4=0 -FinderMax4=10 +FinderMax4=20 FinderCheckElements4=0 FinderPercentValue4=Percent FinderCustomWeight1=# or Element or Abbrev. FinderMin5=0 -FinderMax5=10 +FinderMax5=20 FinderCheckElements5=0 FinderPercentValue5=Percent FinderCustomWeight2=# or Element or Abbrev. FinderMin6=0 -FinderMax6=10 +FinderMax6=20 FinderCheckElements6=0 FinderPercentValue6=Percent FinderCustomWeight3=# or Element or Abbrev. FinderMin7=0 -FinderMax7=10 +FinderMax7=20 FinderCheckElements7=0 FinderPercentValue7=Percent FinderCustomWeight4=# or Element or Abbrev. FinderMin8=0 -FinderMax8=10 +FinderMax8=20 FinderCheckElements8=0 FinderPercentValue8=Percent FinderCustomWeight5=# or Element or Abbrev. FinderMin9=0 -FinderMax9=10 +FinderMax9=20 FinderCheckElements9=0 FinderPercentValue9=Percent FinderCustomWeight6=# or Element or Abbrev. @@ -206,7 +206,7 @@ FragModelModificationSymbol8=%,236.127,False,Cleavable ICAT [(^13C9)(^12C)H17N3O FragModelModificationSymbol9=~,442.225,False,ICAT D0 [C20H34N4O5S] FragModelModificationSymbol10=`,450.274,False,ICAT D8 [C20H26D8N4O5S] FragModelNotationMode=0 -FragModelSequence=TGMLTQKFARSLGMLAVDNQARV +FragModelSequence=R.GDWEHFGFFK.L FragModelNTerminus=0 FragModelCTerminus=0 FragModelIonType0=0 @@ -220,14 +220,14 @@ FragModelIonsToModify2=1 FragModelWaterLoss=1 FragModelAmmoniaLoss=0 FragModelPhosphateLoss=0 -FragModelDoubleCharge=0 +FragModelDoubleCharge=1 FragModelDoubleChargeThreshold=8 FragModelTripleCharge=0 FragModelTripleChargeThreshold=9 FragModelPrecursorIonRemove=1 -FragModelPrecursorIonMass=300 +FragModelPrecursorIonMass=2808.52 FragModelPrecursorIonMassWindow=2 -FragModelIonMatchWindow=0.5 +FragModelIonMatchWindow=0.1 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FragModelIonAlignment=0 [PlotOptions_Series1] SeriesPlotMode=1 @@ -412,8 +1484,8 @@ GridLinesYVisibleMajor=False GridLinesYVisibleMinor=False AnnotationDensityAutoHideCaptions=True AnnotationDensityToleranceAutoAdjust=True -AnnotationDensityToleranceX=0.562291337199086 -AnnotationDensityToleranceY=0.5420054200542 +AnnotationDensityToleranceX=35.063665 +AnnotationDensityToleranceY=3.93968960197037 AutoScaleVisibleY=False FixMinimumYAtZero=False AutoAdjustScalingToIncludeCaptions=True diff --git a/mwtwin.exe b/mwtwin.exe index d8e5089..5245f7a 100644 Binary files a/mwtwin.exe and b/mwtwin.exe differ diff --git a/mwtwin.ini b/mwtwin.ini index 8d926c6..09e78d0 100644 --- a/mwtwin.ini +++ b/mwtwin.ini @@ -19,9 +19,9 @@ AutoSaveValues=1 BracketsAsParentheses=0 AutoCopyCurrentMWT=0 StartupModule=0 -MaximumFormulasToShow=8::17 +MaximumFormulasToShow=8::18 FinderWeightModeWarn=0 FinderBoundedSearch=0 Language=English LanguageFile=lang_english.ini -LastOpenSaveFolder=F:\My Documents\Projects\DataMining\MwtWin\ +LastOpenSaveFolder=F:\My Documents\Projects\DataMining\ConcatenatedTextFileSplitter\bin\EDRN_VCap\