Materials Studio中的建模

单击此处编辑母版标题样式 单击此处编辑母版文本样式 第二级 第三级 第四级 第五级 Materials Studio中的建模 创腾科技有限公司 2008年9月26日 Materials Studio分子模拟软件专题讲座之三 单击此处编辑母版标题样式 单击此处编辑母版副标题样式 MS Modeling interface 单击此处编辑母版标题样式 单击此处编辑母版副标题样式 Menus File: Commands relating to file and project operations, such as open, save, import, export, and print. Help: Commands for accessing the MS Modeling Help system or other online information about MS Modeling. Window: Commands for organizing and activating open document windows in MS Modeling. Modules: Commands for accessing MS Modeling modules. Statistics: Commands for accessing statistical analysis applications. Tools: Commands for manipulating the objects in the current window Modify: Commands that affect the properties of objects in the current window. View: Commands for modifying the appearance of MS Modeling. Edit: Commands for editing selected objects and using the clipboard. Build: Commands to calculate bonds, close contacts, and hydrogen bonds and to construct polymers, crystals, surfaces, and layered structures. 单击此处编辑母版标题样式 单击此处编辑母版副标题样式 Standard: Tools for performing file operations. Toolbars 3D Viewer: 3D Viewer modes and view manipulation tools. Sketch: Atom, bond, and ring sketching and modification tools. Symmetry: Tools for creating, modifying, and finding symmetry systems. Atoms & Bonds: Atom and bond creation and manipulation tools. Modules: Tools for accessing MS Modeling modules. Animation: Tools for controlling animations in the 3D Viewer. 单击此处编辑母版标题样式 单击此处编辑母版副标题样式 View ♣ 3D Viewer ♣ Chart Viewer ♣ Grid Viewer ♣ Study Table Viewer ♣ Text Viewer 单击此处编辑母版标题样式 单击此处编辑母版副标题样式 Simple Molecule 单击此处编辑母版标题样式 单击此处编辑母版副标题样式 Porphyrin 单击此处编辑母版标题样式 单击此处编辑母版副标题样式 Organometallic structures 单击此处编辑母版标题样式 单击此处编辑母版副标题样式 Docking molecules onto surfaces 单击此处编辑母版标题样式 单击此处编辑母版副标题样式 polymer 单击此处编辑母版标题样式 单击此处编辑母版副标题样式 Block Copolymer Dendrimer 单击此处编辑母版标题样式 单击此处编辑母版副标题样式 Layer Complex 单击此处编辑母版标题样式 单击此处编辑母版副标题样式 Crystal 单击此处编辑母版标题样式 单击此处编辑母版副标题样式 Nanostructure Builders: Clusters • Constructed by cutting the specified shape out of an infinite crystal. • Shape options are: – Simple box – Sphere – Cylinder – Cone – Frustum – Tetrahedron – Square pyramid 单击此处编辑母版标题样式 单击此处编辑母版副标题样式 单击此处编辑母版标题样式 单击此处编辑母版副标题样式 1. Define bead types… 2. Build molecules… 3. Construct templates… 4. Build structures… 5. Run your favourite mesoscale application Mesotek DPD … Mesoscale workflow 单击此处编辑母版标题样式 单击此处编辑母版副标题样式 Bead type editor • Create new bead types • Set properties • Share between projects 单击此处编辑母版标题样式 单击此处编辑母版副标题样式 Mesoscale molecule builder • Versatile building tool for mesoscale molecule structures • Build homopolymers… • block copolymers… • random copolymers… • branched structures… • or dendrimers! 单击此处编辑母版标题样式 单击此处编辑母版副标题样式 Mesostructure template builder • Abstract sketch of the mesoscale structure • Add droplet, rod, slab, tube, shell, etc. as template buiding blocks • Enable formers for surface packing 单击此处编辑母版标题样式 单击此处编辑母版副标题样式 • Generic building tool in MS Visualizer • Linked with mesoscale molecule documents • Build mesoscale “amorphous cell” • Generate field representation • Use output in DPD or Mesotek Mesoscale structure builder 单击此处编辑母版标题样式 单击此处编辑母版副标题样式 液滴状模型 Meso Structure Builder 真实模型 单击此处编辑母版标题样式 单击此处编辑母版副标题样式 棒状模型 Meso Structure Builder 真实模型 单击此处编辑母版标题样式 单击此处编辑母版副标题样式 层状模型 Meso Structure Builder 真实模型 单击此处编辑母版标题样式 单击此处编辑母版副标题样式 管状模型 Meso Structure Builder 真实模型 Nanostructure Builders: Clusters Bead type editor Mesoscale molecule builder Mesostructure template builder << /ASCII85EncodePages false /AllowTransparency false /AutoPositionEPSFiles true /AutoRotatePages /All /Binding /Left /CalGrayProfile (Dot Gain 20%) /CalRGBProfile (sRGB IEC61966-2.1) /CalCMYKProfile (U.S. Web Coated \050SWOP\051 v2) /sRGBProfile (sRGB IEC61966-2.1) /CannotEmbedFontPolicy /Warning /CompatibilityLevel 1.4 /CompressObjects /Tags /CompressPages true /ConvertImagesToIndexed true /PassThroughJPEGImages true /CreateJDFFile false /CreateJobTicket false /DefaultRenderingIntent /Default /DetectBlends true /DetectCurves 0.0000 /ColorConversionStrategy /LeaveColorUnchanged /DoThumbnails false /EmbedAllFonts true /EmbedOpenType false /ParseICCProfilesInComments true /EmbedJobOptions true /DSCReportingLevel 0 /EmitDSCWarnings false /EndPage -1 /ImageMemory 1048576 /LockDistillerParams false /MaxSubsetPct 100 /Optimize true /OPM 1 /ParseDSCComments true /ParseDSCCommentsForDocInfo true /PreserveCopyPage true /PreserveDICMYKValues true /PreserveEPSInfo true /PreserveFlatness true /PreserveHalftoneInfo false /PreserveOPIComments false /PreserveOverprintSettings true /StartPage 1 /SubsetFonts true /TransferFunctionInfo /Apply /UCRandBGInfo /Preserve /UsePrologue false /ColorSettingsFile () /AlwaysEmbed [ true ] /NeverEmbed [ true ] /AntiAliasColorImages false /CropColorImages true /ColorImageMinResolution 300 /ColorImageMinResolutionPolicy /OK /DownsampleColorImages true /ColorImageDownsampleType /Bicubic /ColorImageResolution 300 /ColorImageDepth -1 /ColorImageMinDownsampleDepth 1 /ColorImageDownsampleThreshold 1.50000 /EncodeColorImages true /ColorImageFilter /DCTEncode /AutoFilterColorImages true /ColorImageAutoFilterStrategy /JPEG /ColorACSImageDict << /QFactor 0.15 /HSamples [1 1 1 1] /VSamples [1 1 1 1] >> /ColorImageDict << /QFactor 0.15 /HSamples [1 1 1 1] /VSamples [1 1 1 1] >> /JPEG2000ColorACSImageDict << /TileWidth 256 /TileHeight 256 /Quality 30 >> /JPEG2000ColorImageDict << /TileWidth 256 /TileHeight 256 /Quality 30 >> /AntiAliasGrayImages false /CropGrayImages true /GrayImageMinResolution 300 /GrayImageMinResolutionPolicy /OK /DownsampleGrayImages true /GrayImageDownsampleType /Bicubic /GrayImageResolution 300 /GrayImageDepth -1 /GrayImageMinDownsampleDepth 2 /GrayImageDownsampleThreshold 1.50000 /EncodeGrayImages true /GrayImageFilter /DCTEncode /AutoFilterGrayImages true /GrayImageAutoFilterStrategy /JPEG /GrayACSImageDict << /QFactor 0.15 /HSamples [1 1 1 1] /VSamples [1 1 1 1] >> /GrayImageDict << /QFactor 0.15 /HSamples [1 1 1 1] /VSamples [1 1 1 1] >> /JPEG2000GrayACSImageDict << /TileWidth 256 /TileHeight 256 /Quality 30 >> /JPEG2000GrayImageDict << /TileWidth 256 /TileHeight 256 /Quality 30 >> /AntiAliasMonoImages false /CropMonoImages true /MonoImageMinResolution 1200 /MonoImageMinResolutionPolicy /OK /DownsampleMonoImages true /MonoImageDownsampleType /Bicubic /MonoImageResolution 1200 /MonoImageDepth -1 /MonoImageDownsampleThreshold 1.50000 /EncodeMonoImages true /MonoImageFilter /CCITTFaxEncode /MonoImageDict << /K -1 >> /AllowPSXObjects false /CheckCompliance [ /None ] /PDFX1aCheck false /PDFX3Check false /PDFXCompliantPDFOnly false /PDFXNoTrimBoxError true /PDFXTrimBoxToMediaBoxOffset [ 0.00000 0.00000 0.00000 0.00000 ] /PDFXSetBleedBoxToMediaBox true /PDFXBleedBoxToTrimBoxOffset [ 0.00000 0.00000 0.00000 0.00000 ] /PDFXOutputIntentProfile () /PDFXOutputConditionIdentifier () /PDFXOutputCondition () /PDFXRegistryName () /PDFXTrapped /False /Description << /CHS /CHT /DAN /DEU /ESP /FRA /ITA /JPN /KOR /NLD (Gebruik deze instellingen om Adobe PDF-documenten te maken voor kwaliteitsafdrukken op desktopprinters en proofers. De gemaakte PDF-documenten kunnen worden geopend met Acrobat en Adobe Reader 5.0 en hoger.) /NOR /PTB /SUO /SVE /ENU (Use these settings to create Adobe PDF documents for quality printing on desktop printers and proofers. Created PDF documents can be opened with Acrobat and Adobe Reader 5.0 and later.) >> /Namespace [ (Adobe) (Common) (1.0) ] /OtherNamespaces [ << /AsReaderSpreads false /CropImagesToFrames true /ErrorControl /WarnAndContinue /FlattenerIgnoreSpreadOverrides false /IncludeGuidesGrids false /IncludeNonPrinting false /IncludeSlug false /Namespace [ (Adobe) (InDesign) (4.0) ] /OmitPlacedBitmaps false /OmitPlacedEPS false /OmitPlacedPDF false /SimulateOverprint /Legacy >> << /AddBleedMarks false /AddColorBars false /AddCropMarks false /AddPageInfo false /AddRegMarks false /ConvertColors /NoConversion /DestinationProfileName () /DestinationProfileSelector /NA /Downsample16BitImages true /FlattenerPreset << /PresetSelector /MediumResolution >> /FormElements false /GenerateStructure true /IncludeBookmarks false /IncludeHyperlinks false /IncludeInteractive false /IncludeLayers false /IncludeProfiles true /MultimediaHandling /UseObjectSettings /Namespace [ (Adobe) (CreativeSuite) (2.0) ] /PDFXOutputIntentProfileSelector /NA /PreserveEditing true /UntaggedCMYKHandling /LeaveUntagged /UntaggedRGBHandling /LeaveUntagged /UseDocumentBleed false >> ] >> setdistillerparams << /HWResolution [2400 2400] /PageSize [612.000 792.000] >> setpagedevice