Dear mpl friends,

My objective is to
create a molecular surface using matplotlib. I used the snippet
pasted below to create a series of spheres (attached png), drawn
using the atom attributes (their positions and radius). From here, I
would like to create a smooth surface which can depict the shape of
the molecule surface (curves,cavities etc). Based on examples in net, I get a mixed feeling that either triangulation or
making 3D grids are some directions to proceed. If anyone has some
suggestions or better protocols for such task with some example data, it would be
of great help to me.

fig =
plt.figure(figsize=(6,6),dpi=140)

ax1 =
fig.add_subplot(111, projection='3d')

# Define spherical
coordinates

u, v =
np.mgrid[0:2*np.pi:20j, 0:np.pi:10j]

S =
np.cos(u)*np.sin(v)

C =
np.sin(u)*np.sin(v)

T = np.cos(v)

for P,R in
zip(positions,radii):

ax1.plot_wireframe(R*S+P[0],R*C+P[1],R*T+P[2],color='r',alpha=0.4)

Thanks in advance,

Bala

--

C. Balasubramanian

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