I believe the default range is -0.1 to 0.1 for isosurface MEP:
$ load $caffeine
$ calculate partialCharge
$ isosurface molecular map mep
isosurface1 created with cutoff=0.0; isosurface count: 1
isosurface full data range -0.15802732 to 0.11532727 with color scheme
spanning -0.1 to 0.1
The default range is defined so that different models are comparable. But
you can set that to anything you want:
$ isosurface molecular color range -0.3 0.3 map mep
isosurface full data range -0.15802732 to 0.11532727 with color scheme
spanning -0.3 to 0.3
But your problem, Wenhan Chen, is that the menu uses instead:
isosurface delete resolution 0 vdw color range all map MEP translucent;
and the "range all" is causing the inconsistency. I'll add a new menu item
for that.
Bob
On Mon, May 20, 2013 at 2:18 AM, Angel Herráez <[email protected]> wrote:
> > >>> using cmd : show isosurface
> > I am a able to get the default parameters for the color range setting,
>
> No. What you get is the parameters for the last isosurface generated (ie
> the
> one you get with the menu, if you used that). It is called isosurface1
> because
> the menu does not assign a name to it.
>
> Try to use the menu and then the command, to see what comes. It's still
> possible that the color is not specified in that command.
>
>
>
>
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security visibility with the essential security capabilities. Easily and
efficiently configure, manage, and operate all of your security controls
from a single console and one unified framework. Download a free trial.
http://p.sf.net/sfu/alienvault_d2d
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