Styles

This is how we can add styles or representations of our molecular data, so we can actually see something.

import molecularnodes as mn

cv = mn.Canvas(resolution=(860, 540), transparent=True)

codes = ["4ozs", "8H1B", "8U8W"]
styles = [
    mn.StyleCartoon(),
    mn.StyleRibbon(),
    mn.StyleSpheres(geometry="Instance", subdivisions=4),
]
materials = [
    mn.material.Default(),
    mn.material.AmbientOcclusion(),
    mn.material.FlatOutline(),
]

for code, style, material in zip(codes, styles, materials):
    mol = mn.Molecule.fetch(code)
    mol.add_style(style, material=material)
    cv.frame_object(mol)
    cv.snapshot()
    cv.clear()

mol = (
    mn.Molecule.fetch("8H1B")
    .add_style("cartoon", material = mn.material.AmbientOcclusion())
    .add_style(
        style="surface",
        selection=mn.MoleculeSelector().is_peptide(),
        color=(0.6, 0.6, 0.8, 1.0),
        material=mn.material.TransparentOutline()
        )
)
cv.frame_object(mol)
cv.snapshot()

mol.styles[0].remove()
cv.snapshot()

(
    mol
    .add_style('ribbon', selection="is_peptide")
    .add_style('surface', selection="is_nucleic")
)
style = mol.styles[1]
style.backbone_radius = 1.5
style.quality = 5
style.material = mn.material.AmbientOcclusion()
cv.snapshot()

cv.clear()
cv.engine = mn.scene.Cycles(samples=32)
mol = (
    mn.Molecule.fetch("9EYM")
    .add_style("cartoon", material = mn.material.AmbientOcclusion(), selection = "is_peptide")
    .add_style("ball_and_stick", selection=mn.entities.MoleculeSelector().not_peptide())
)
mol.styles[1].bond_find = True
cv.frame_view(mol)
cv.snapshot()

cv.frame_view(mol, (-3.14, 0, 0))
cv.snapshot()