Aya, what version of Jmol are you using? The equivalent of
geosurface
would be
isosurface vanderwaals
(with the desired select/ignore)
Those should be closed surfaces Send an example, please.
Bob
On Sun, Jan 16, 2011 at 7:59 PM, Aya wrote:
> Hello there!
>
> I am having a hard time mak
If the molecule is big, you may be just running into the problem that the
resolution is low, because it is adjusted by default for 80x80x80 points.
You could try RESOLUTION 1.0 as a parameter.
On Sun, Jan 16, 2011 at 9:40 PM, Robert Hanson wrote:
> Aya, what version of Jmol are you using? The e
Hello there!
I am having a hard time making solvent/molecular/sasurface generate closed
surfaces for the molecules I'm working with. I have even tried the
following:
isoSurface surf1 select(selectedAtoms) ignore(not selectedAtoms) molecular
/solvent/sasurface;
Which is better, but still pretty '
> >Subject: Re: [Jmol-users] surface representations of atom selections
> >
> >Check the documentation regarding the isosurface command and the
> >options SELECT and IGNORE. Some combination of those two will do
> >exactly what you want. If you use SASURFACE and you want th
At 2010-06-01 09:24, you wrote:
>From: Robert Hanson
>Subject: Re: [Jmol-users] surface representations of atom selections
>
>Check the documentation regarding the isosurface command and the
>options SELECT and IGNORE. Some combination of those two will do
>exactly what yo
Check the documentation regarding the isosurface command and the options
SELECT and IGNORE. Some combination of those two will do exactly what you
want. If you use SASURFACE and you want the same scale as geosurface or dots
or spacefill, be sure to use SASURFACE 0.
Some reason not to just use spac
Hello,
I'm trying to show the "shrink-wrapped" surface of a ligand in Jmol
-- but it appears that "isosurface" will simply render the portion of
the complete (i.e. all loaded models) solvent-accessible
surface. For a partially buried ligand, this breaks the surface
noticeably. "geoSurface" s
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