Pharmacophore overlays#
Planned content:
Render pharmacophore glyphs with standard colors and transparency.
Combine with pockets or channels in the same scene.
import molsysviewer as mv
v = mv.MolSysView()
v.shapes.add_pharmacophore_features(
centers=[(0,0,0), (3,0,0), (6,0,0)],
kinds=["aromatic", "hydrophobic", "hbond_acceptor"],
alphas=[0.5, 0.4, 0.6],
tag="ph4-demo",
)
v.show()
<molsysviewer.widget.MolSysViewerWidget object at 0x7b3aa3dabfb0>
What to tweak
radii: glyph size (single value or per feature).directions: optional for arrows/disks; one per feature if needed.colors: override standard palette; otherwise defaults per kind.alphas: transparency per feature or a single float.Combine with pockets or channels in the same scene using tags.