add the keyword MOLECULAR and you should have it:
lcaocartoon CREATE pz MOLECULAR
*Creates a new LCAO cartoon of the given type using the molecular axes
system as reference. Applicable only for px, py, pz, -px, -py,
and -pz. *
On Sun, Jul 1, 2012 at 10:34 PM, Pshemak Maslak p...@chem.psu.edu
Well, then you don't have the access you think you do. I thought your
intent was to let the user know that the applet loaded would not load the
file desired. What are you actually trying to do again?
On Sun, Jul 1, 2012 at 12:03 PM, Martin Hediger ma@bluewin.ch wrote:
**
problem is, using
On 7/2/2012 11:55 AM, Robert Hanson wrote:
add the keyword MOLECULAR and you should have it:
lcaocartoon CREATE pz MOLECULAR
/Creates a new LCAO cartoon of the given type using the molecular axes
system as reference. Applicable only for px, py, pz, -px,
-py, and -pz. /
I did not see it
I would check the bounds of map.dx to make sure it really spans the entire
molecule. If a surface point is outside the range of mapped data, then this
could happen because the value will be introduced as NaN
Q: What does it look like at that vertex? You can use DRAW to show a dot at
that point
On Sat, Jun 30, 2012 at 12:36 PM, Daniel Aioanei aioan...@gmail.com wrote:
What is the relationship between the isosurface of a set of atoms and
that of a subset of the atoms? I kind of expected that the latter be a
subset of the former one, but that doesn't seem to be the case.
Indeed, by
You mean so that you see only non-clash contacts?
You can do this:
contact HBOND
Those aren't clashes.
On Fri, Jun 29, 2012 at 6:49 AM, Pascal Auffinger
p.auffin...@ibmc-cnrs.unistra.fr wrote:
Hi,
Is there a way to set contact clash ON or OFF though set contact ON; set
contact OFF ?
Hi Robert, thanks for getting back, I'm not sure I understand your answer.
I thought, as you wrote previously, if I see this message, it means my
applet is not signed. But it is, because I grant it access. And from
testing it, I know I can use my applet to write a state file to my local
On Mon, Jul 2, 2012 at 2:42 PM, Martin Hediger ma@bluewin.ch wrote:
**
Hi Robert, thanks for getting back, I'm not sure I understand your answer.
I thought, as you wrote previously, if I see this message, it means my
applet is not signed.
right.
But it is, because I grant it access.
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