RE: [PyMOL] e-density around atoms

[DeLano, W. <wa...@su...>]

> From: Mario Sanchez [mailto:sa...@if...]

> I am trying to draw an eletronic density around some specific atoms
> only, but pymol always draw a box in the region. I am using the
> following comand:
>=20
> isomesh den, map21, 1.0, (c;A & i;12 & !n;n,o,ca,cb |  c;A & i;89 &
> !n;n,o,ca,cb | c;E & i;327), 0.4=20

Sorry, the manual is out of date on this topic.  You'll need to use =
"carve=3D" when specifying the buffer around the atoms.

Also, hierarchical atom selections are a bit cleaner for big =
expressions...

> Is there a way to draw the density only around the selected atoms
> without defining this box?

isomesh den, map21, 1.0, (A/12/n,o,ca,cb | A/89/ & !*/n,o,ca,cb | E/327/ =
), carve=3D2.1
=20
- Warren=20