Thank you!
[]'s,
Hatuey
Charles de
Gaulle<http://www.brainyquote.com/quotes/authors/c/charles_de_gaulle.html>
- "The better I get to know men, the more I find myself loving dogs."
On Mon, Oct 19, 2009 at 3:47 PM, Robert Hanson wrote:
> select 1.3
> write &q
Hello All,
I would like to know how to extract a "frame" from a DRC calculation in
MOPAC.
I got a XYZ file with all the calculation steps that are easily show in Jmol
as an animation, but I want to get a file (mol, mol2, PDB) for a given step.
Best regards,
Hatuey
___
Marie
Thank you.
Any idea about other programs that could do that for Gaussian cube files?
[]s,
Hatuey
___
Bill Watterson - "There is not enough time to do all the nothing we want to
do."
On Thu, Feb 19, 2009 at 4:48 PM, Robert Hanson wrote:
> That requires a very different approach
Hi all,
I already know how to make contour plots of surfaces in different planes.
I want to do contour plots but only with lines, not with gradient colors.
Also, I would like to add some legend about the value of each density line.
Regards,
Hatuey
___
Katharine Hepburn - "Life is hard.
quot;No partial charges
were read from the file...".
Questions:
1-) How to setup GAMESS in order to let JMol plot the MEP?
2-) Is there a way to create a file similar that obtained with
MOPAC2007 (using GRAPHF keyword) with all the information about MO,
MEP, etc?
My JMol version is 11.5.
Bob,
Here is the file.
This is a test file to see how do JMol plot the MO.
My real file has 9MB.
Thanks in advance,
Hatuey
On Wed, Apr 9, 2008 at 3:31 PM, Bob Hanson <[EMAIL PROTECTED]> wrote:
> please send me that file.
>
> Hatuey wrote:
>
> > Dear Bob,
> >
Dear Bob,
thanks.
Now I can plot any MO, but using
mo n
When I use mo homo, nothing happens and the commands send in the script
window do not work any more.
Regards,
Hatuey
On Tue, Apr 8, 2008 at 11:59 PM, Bob Hanson <[EMAIL PROTECTED]> wrote:
> also -- then you would use the M
a problem of the generated cube file or a JMol problem?
Regards,
Hatuey
-
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Register now and save $200. Hurry, offer ends at 11:59 p.m.,
Monday, April 7! Use
,
Gamess-US, and of course, Jmol without a problem.
The only thing BAD is that as I have the source of NWChem and Gamess-US, I
can compile them to run in 64bits and get the full advantages of 64bit
computing, so the calculations can run at almost twice the speed for 32bits.
Regards,
Hatuey
On 9/21/07
box :( everthing work fine!
Regards,
Hatuey
On 9/21/07, Helix Photon <[EMAIL PROTECTED]> wrote:
>
> Hi Egon,
> I am using Ubuntu 7.04 for 64 bit machines and I am using Firefox version
> 2.0.0.6 as the web browser.
> regarding the plugin, when I tried to install it showed
Dean,
It is your site available for off-line viewing? I found very useful
for teaching.
[]s,
Camps
On 9/7/07, Dean Johnston <[EMAIL PROTECTED]> wrote:
> It's not a repository, but I do have a few of the structures you mention
> (cube, octahedron, dodecahedron, icosahedron) on my site
>
> http:/
,
Hatuey
On 8/28/07, Angel Herraez <[EMAIL PROTECTED]> wrote:
> Hello
> I'm not answering how to get the surface rendered and colored, just the
> colored bar idea.
> You could do something by loading into Jmol a fake model which has
> several vertically aligned atoms and co
On 8/24/07, Bob Hanson <[EMAIL PROTECTED]> wrote:
> what is an electrostatic potential surface, then?
>
The electrostatic potential in a given surface.
Hatuey
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St
Frieda,
Thanks by your answer.
To plot the electron density I did the following:
As I use Jaguar, I set it up to export the electron density as a PLT
file. Then I loaded into Jmol.
Regards,
Hatuey
On 8/23/07, Frieda Reichsman <[EMAIL PROTECTED]> wrote:
>
>
> On Aug 23, 2
density) and mapping it to
the electrostatic potential.
Regards,
Hatuey
On 8/22/07, Bob Hanson <[EMAIL PROTECTED]> wrote:
> Hatuey wrote:
>
> >Hi all,
> >
> >I would like to know if it is possible to put a color scale together
> >with an electrostat
Hi all,
I would like to know if it is possible to put a color scale together
with an electrostatic potential surface.
Regards,
Hatuey
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