Pocket blob (Gaussian field)#

Goal

  • Generate a volumetric blob from alpha-spheres with custom iso thresholds and smoothing.

  • Support multiple iso levels/colors/alphas.

Code sketch

import molsysviewer as mv

v = mv.MolSysView()
v.show()
v.shapes.add_pocket_blob(
    centers=[(0,0,0), (3,0,0), (1.5,2,0)],
    radii=[2.0, 1.8, 1.2],
    iso_levels=[0.08, 0.15],
    iso_colors=[0x44CCFF, 0x003366],
    iso_alphas=[0.35, 0.5],
    smoothing=1.0,
    tag="pocket-blob",
)
v.write_html("_static/views/pocket_blob.html")

What to tweak

  • smoothing: higher → smoother field, lower → sharper.

  • iso_levels/iso_colors/iso_alphas: multiple surfaces from one field.

  • radius_scale: scale radii before computing the field.

  • color_map and values: color per center via a numeric property.

  • tag: group blobs for selective clear.

Embed the exported view

from molsysviewer.thirds.jupyter import load_html_in_notebook
load_html_in_notebook("_static/views/pocket_blob.html")