Re: [Jmol-developers] Initial .cube file isosurface support

[Park Won-K. <wk...@gm...>]

This is demo page for this cvs snapshot.

http://chemie.skku.ac.kr/~wkpark/demos/demo/sample2.html

Great!!

and... is there any regenerate/replace or delete isosurface command ?

2005/7/17, Miguel <mi...@jm...>:
> I have checked in code that provides support for isosurfaces from gaussia=
n
> .cube files
>=20
> The 'load' command only reads the atoms.
>=20
> If you want to read the volumetric/scalar field data then you must use th=
e
> 'isosurface' command
>=20
> The generic command name is 'isosurface'
> Functionality is very similar to 'pmesh'
>=20
> isosurface <arguments>
>=20
> all arguments are optional ... but use combinations that make sense
>=20
> NAME
> ----
> an optional alphanumeric identifier used to identify this surface
>=20
> cutoff
> ------
> floating point value used as isosurface cutoff. If cutoff is positive the=
n
> values >=3D cutoff are inside. If cutoff is negative then values <=3D cut=
off
> are inside. Default is currently 0.02
>=20
> dots | nodots
> -------------
> turn on/off display of dots at the points. defaults to nodots
>=20
> mesh | nomesh
> -------------
> turn on/off display of the triangular mesh. defaults to nomesh
>=20
> fill | nofill
> -------------
> turn on/off filling of the surface. defaults to fill
>=20
> "path/to/filename.cube"
> -----------------------
> path name to your gaussian .cube file. This *must* be in double quotes (a=
s
> with the pmesh command).
>=20
> on | off
> --------
> Turns on/off the display of the surface
>=20
>=20
> Notes:
>=20
> Generally, if a name is provided then the command only applies to that
> particular isosurface. If no name is provided then it applies to all the
> isosurfaces.
>=20
>=20
> color isosurface {translucent|opaque} <colorValue>
>=20
> the combination of opaque, translucent, mesh, and dots gives flexibility
> in showing multiple layers and/or surfaces of different types around the
> same molecule.
>=20
>=20
>=20
> Miguel
>=20
>