AtomLabels

AtomLabels

is an option for MoleculePlot and MoleculePlot3D that specifies what labels and label positions should be used for atoms.

Details

  • The following option settings can be used:
  • Noneuse no atom labels
    Allalways use atom labels
    Automaticautomatically label atoms
    "AtomIndex"use the atom index as a label
    "AtomChirality"use the atom chirality as a label
    MoleculeProperty[…]a molecule property for atoms
    EntityProperty["Element",…]an element property
    {a1lbl1,a2lbl2,…}label atom ai with lbli etc.
    {patt1lbl1,patt2lbl2,…}label atoms matching the pattern patti with lbli
  • Any expression can be used as a label.
  • Use MoleculeValue["Properties"]["AtomProperties"] to list atomic properties for labeling.
  • Placed[lbl,pos] can be used to place labels in relative position to the vertex box:
  • Tooltip, StatusAreashow as tooltip or in status area on mouseover
    Centerplace label at center of atom
    Before,After,Below,Aboveplace label outside before, after, etc.
    Left,Right,Bottom,Topplace label inside to the left, right, etc.
    {Before,Below},{After,Below},…place label outside at corner before/below etc.
    {Left,Bottom},{Right,Bottom},…place label inside at corner left/bottom etc.
    {{vx,vy},{lx,ly}}scaled position {lx,ly} in the label at scaled position {vx,vy} in the atom

Examples

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Basic Examples  (4)

Label all atoms by their index:

Label individual atoms:

Label individual atoms:

Label chiral atoms:

Scope  (4)

Label Specification  (1)

Use a pattern to place labels only on specific atoms:

Use multiple patterns to specify different labels:

Label Placement  (3)

Use Placed with symbolic locations to control label placement, including outside positions:

Place labels at symbolic outside corner positions:

Place labels at symbolic inside positions:

Wolfram Research (2021), AtomLabels, Wolfram Language function, https://reference.wolfram.com/language/ref/AtomLabels.html.

Text

Wolfram Research (2021), AtomLabels, Wolfram Language function, https://reference.wolfram.com/language/ref/AtomLabels.html.

CMS

Wolfram Language. 2021. "AtomLabels." Wolfram Language & System Documentation Center. Wolfram Research. https://reference.wolfram.com/language/ref/AtomLabels.html.

APA

Wolfram Language. (2021). AtomLabels. Wolfram Language & System Documentation Center. Retrieved from https://reference.wolfram.com/language/ref/AtomLabels.html

BibTeX

@misc{reference.wolfram_2024_atomlabels, author="Wolfram Research", title="{AtomLabels}", year="2021", howpublished="\url{https://reference.wolfram.com/language/ref/AtomLabels.html}", note=[Accessed: 18-November-2024 ]}

BibLaTeX

@online{reference.wolfram_2024_atomlabels, organization={Wolfram Research}, title={AtomLabels}, year={2021}, url={https://reference.wolfram.com/language/ref/AtomLabels.html}, note=[Accessed: 18-November-2024 ]}