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BioMoleculePlot3D[biomol]

创建生物分子 biomol 的三维图形.

BioMoleculePlot3D[biomolpart]

只显示 biomol 的 part 部分. BioMoleculePlot3D[{bm1,bm2,…}]
将一组生物分子绘制在同一张图表中.

更多信息和选项
Details and Options Details and Options
范例  
基本范例  
范围  
选项  
Axes  
Boxed  
Background  
Show More Show More
ColorRules  
IncludeHydrogens  
IncludeWaters  
PlotStyle  
PlotLabel  
PlotLegends  
参见
相关指南
历史
按以下格式引用：

BioMoleculePlot3D

BioMoleculePlot3D[biomol]

创建生物分子 biomol 的三维图形.

BioMoleculePlot3D[biomolpart]

只显示 biomol 的 part 部分. BioMoleculePlot3D[{bm1,bm2,…}]
将一组生物分子绘制在同一张图表中.

更多信息和选项

范例

打开所有单元 关闭所有单元

基本范例  (3)

根据 ExternalIdentifier 创建生物分子：

Wolfram Language code: BioMolecule[ExternalIdentifier["PDBStructureID", "168L"]]
Wolfram Language code: BioMoleculePlot3D[%]

只绘制第一条链：

Wolfram Language code: BioMoleculePlot3D[%% -> <|"Chains" -> "A"|>]

用高斯表面显示生物分子：

Wolfram Language code: BioMoleculePlot3D[BioMolecule[ExternalIdentifier["PDBStructureID", "1PPT"]], PlotTheme -> "GaussianSurface"]

将两个生物分子绘制在同一图中：

Wolfram Language code: BioMoleculePlot3D[{BioMolecule[ExternalIdentifier["PDBStructureID", "1PPT"]], BioMolecule[ExternalIdentifier["PDBStructureID", "1CRN"]]}, PlotLegends -> {"1PPT", "1CRN"}]

范围  (1)

显示 alpha 螺旋的缎带图并表示所有原子：

Wolfram Language code: bm = BioMolecule[ExternalIdentifier["PDBStructureID", "1PPT"]]; Show[ BioMoleculePlot3D[bm], BioMoleculePlot3D[bm, PlotTheme -> "Tubes"] ]

选项  (11)

Axes  (1)

以埃为单位显示坐标轴：

Wolfram Language code: BioMoleculePlot3D[ExternalIdentifier["PDBStructureID", "1PPT"], Axes -> True, AxesLabel -> {x, y, z}]

Boxed  (1)

将生物分子显示在边界框中：

Wolfram Language code: BioMoleculePlot3D[ExternalIdentifier["PDBStructureID", "1PPT"], Boxed -> True]

Background  (1)

为绘图添加背景色：

Wolfram Language code: BioMoleculePlot3D[ExternalIdentifier["PDBStructureID", "4BXR"], Background -> LightGreen]

ColorRules  (3)

用 ColorRules 控制聚合物链的样式. 下面的例子明确指定了四个链的颜色，并指定所有其他链使用默认颜色：

Wolfram Language code: BioMoleculePlot3D[BioMolecule[ExternalIdentifier["PDBStructureID", "4YOV"]], ColorRules -> {"A" | "B" | "C" -> Red, "D" -> Blue, _ -> RGBColor[0.14, 0.86, 0.5990900699076309]}]

如果想按残基而不是链着色，请使用 ColorRules"Residues"：

Wolfram Language code: BioMoleculePlot3D[BioMolecule[ExternalIdentifier["PDBStructureID", "4YOV"]], ColorRules -> "Residues"]

为四种不同的残基指定颜色，并指定所有其他残基使用默认颜色：

Wolfram Language code: BioMoleculePlot3D[BioMolecule[ExternalIdentifier["PDBStructureID", "4YOV"]], ColorRules -> {"Residues", "ARG" | "GLY" | "LEU" -> Red, "VAL" -> Blue, _ -> RGBColor[0.14, 0.86, 0.5990900699076309]}]

为了进行更精细的控制，请指定链的标签和残基的索引：

Wolfram Language code: BioMoleculePlot3D[BioMolecule[ExternalIdentifier["PDBStructureID", "4BXR"]], ColorRules -> {{"A", 24 | 25 | 26} -> Red, {"B", _} -> Blue, _ -> RGBColor[0.14, 0.86, 0.5990900699076309]}]

IncludeHydrogens  (1)

默认情况下，当使用全原子绘图主题时，BioMoleculePlot3D 会显示所有坐标明确包含的氢原子：

Wolfram Language code: BioMoleculePlot3D["8PI4", PlotTheme -> "BallAndStick"]

使用 IncludeHydrogensNone 仅显示重原子（非氢原子）：

Wolfram Language code: BioMoleculePlot3D["8PI4", PlotTheme -> "BallAndStick", IncludeHydrogens -> None]

IncludeWaters  (1)

晶体结构通常会在目标生物分子周围区域解析出水分子。这些水分子默认不显示，使用 IncludeWatersTrue 可显示它们：

Wolfram Language code: BioMoleculePlot3D[ExternalIdentifier["PDBStructureID", "3kqy"], IncludeWaters -> True]

由于氢原子太小无法分辨，因此只有氧原子的坐标是已知的.

PlotStyle  (1)

指定所有聚合物链的整体样式：

Wolfram Language code: BioMoleculePlot3D[BioMolecule[ExternalIdentifier["PDBStructureID", "4YOV"]], PlotStyle -> Opacity[0.3]]

PlotLabel  (1)

为生物分子添加标签：

Wolfram Language code: BioMoleculePlot3D[ExternalIdentifier["PDBStructureID", "1MBN"], PlotLabel -> Style["Myoglobin", Large, StandardRed]]

PlotLegends  (1)

用自动生成的图例来说明链的着色：

Wolfram Language code: BioMoleculePlot3D[BioMolecule[ExternalIdentifier["PDBStructureID", "4YOV"]], PlotLegends -> Automatic]

指定图例的位置：

Wolfram Language code: BioMoleculePlot3D[BioMolecule[ExternalIdentifier["PDBStructureID", "4YOV"]], PlotLegends -> Placed[Automatic, Before]]

指定图例的选项：

Wolfram Language code: BioMoleculePlot3D[BioMolecule[ExternalIdentifier["PDBStructureID", "4YOV"]], PlotLegends -> SwatchLegend[Automatic, LegendLabel -> "chain label:", LegendFunction -> "Frame", LabelStyle -> Directive[Bold, Medium]]]
Wolfram Research (2024)，BioMoleculePlot3D，Wolfram 语言函数，https://reference.wolfram.com/language/ref/BioMoleculePlot3D.html.

文本

Wolfram Research (2024)，BioMoleculePlot3D，Wolfram 语言函数，https://reference.wolfram.com/language/ref/BioMoleculePlot3D.html.

CMS

Wolfram 语言. 2024. "BioMoleculePlot3D." Wolfram 语言与系统参考资料中心. Wolfram Research. https://reference.wolfram.com/language/ref/BioMoleculePlot3D.html.

APA

Wolfram 语言. (2024). BioMoleculePlot3D. Wolfram 语言与系统参考资料中心. 追溯自 https://reference.wolfram.com/language/ref/BioMoleculePlot3D.html 年

BibTeX

@misc{reference.wolfram_2026_biomoleculeplot3d, author="Wolfram Research", title="{BioMoleculePlot3D}", year="2024", howpublished="\url{https://reference.wolfram.com/language/ref/BioMoleculePlot3D.html}", note=[Accessed: 11-August-2026]}

BibLaTeX

@online{reference.wolfram_2026_biomoleculeplot3d, organization={Wolfram Research}, title={BioMoleculePlot3D}, year={2024}, url={https://reference.wolfram.com/language/ref/BioMoleculePlot3D.html}, note=[Accessed: 11-August-2026]}