[CPMD-list] VMD electronic density contour

[Axel Kohlmeyer]

On Tue, 5 Apr 2005, Xudong Tang wrote:

XT> Hello -

dear xudong,

this is a VMD related question and you should better
ask it on the VMD mailing list.

XT> I used IsoSurface & VolumeSlice in VMD to show the electronic density
XT> around some moleculars, such as H2O. It uses color difference to show
XT> different electronic density. However, I'm wondering if I can
XT> establish a legend aside, because it's really hard to tell the value
XT> of electronic density each color represents.

that kind of legend has been asked for several times, but it is 
not (yet) implemented and, to be frank, for the way the output is
produced in VMD it is of limited use. if you want to map out the
colors more exactly, you should turn to a tool like OpenDX, AVS
or alike. if you want to stick to VMD, you could create multiple
isosurfaces at specific isovalues, use a different color for each 
of them and then have a clip plane cutting through them. with
VMD 1.8.3 you have a clipping plane tool plugin from the extension
menu to do that. but for that kind of visualization, pymol is
probably better suited (i've seen pictures).

regards,
	axel.

XT> 
XT> Thanks.
XT> 
XT> Xudong
XT> 
XT> 
XT> _______________________________________________
XT> CPMD-list mailing list
XT> CPMD-list at cpmd.org
XT> http://cpmd.org/mailman/listinfo/cpmd-list
XT> 
XT> 

-- 

=======================================================================
Dr. Axel Kohlmeyer   e-mail: axel.kohlmeyer at theochem.ruhr-uni-bochum.de
Lehrstuhl fuer Theoretische Chemie          Phone: ++49 (0)234/32-26673
Ruhr-Universitaet Bochum - NC 03/53         Fax:   ++49 (0)234/32-14045
D-44780 Bochum  http://www.theochem.ruhr-uni-bochum.de/~axel.kohlmeyer/
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If you make something idiot-proof, the universe creates a better idiot.