[gentoo-science] gamess gui's

[gentoo-science] gamess gui's

[Donnie Berkholz]

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Hi,

What GUIs do you know of for GAMESS? I came across
http://www.uiowa.edu/~ghemical/ghemical-gms.shtml and
http://www.uiowa.edu/~ghemical/gtk-gamess.shtml today and made a quick
ebuild for gtk-gamess
(http://dev.gentoo.org/~spyderous/overlay/sci-chemistry/gtk-gamess/).

Also of course WebMO can deal with it.

Others?

Thanks,
Donnie


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Re: [gentoo-science] gamess gui's

[Jaroslaw Kalinowski]

http://www.cse.clrc.ac.uk/qcg/ccp1gui/index.shtml

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Re: [gentoo-science] gamess gui's

[Donnie Berkholz]

Jaroslaw Kalinowski wrote:
> 
> http://www.cse.clrc.ac.uk/qcg/ccp1gui/index.shtml

I came across that yesterday. Unfortunately I forgot to specify 
GAMESS-US in my original email; GAMESS-UK is proprietary and charges for 
licenses.

Thanks,
Donnie
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Re: [gentoo-science] gamess gui's

[Markus Dittrich]

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On Wed, 8 Feb 2006, Donnie Berkholz wrote:
> Hi,
> 
> What GUIs do you know of for GAMESS? I came across

The upcoming release of VMD (1.8.4) 

http://www.ks.uiuc.edu/Development/Download/download.cgi?PackageName=VMD

will feature a GAMESS plugin that has the ability to read 
GAMESS log files and display the geometry/trajectories. 
The functionality is pretty basic at the moment but still 
fairly usable. Planned features include the display of orbitals 
and a separate GUI to set up runs, etc...
BTW: The current stable release of VMD (1.8.3) should hit portage 
today/tomorrow for testing.

best,
Markus



- -- 
Markus Dittrich (markusle)
Gentoo Linux Developer
Scientific applications
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Re: [gentoo-science] gamess gui's

[Donnie Berkholz]

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Donnie Berkholz wrote:
> Hi,
> 
> What GUIs do you know of for GAMESS? I came across
> http://www.uiowa.edu/~ghemical/ghemical-gms.shtml and
> http://www.uiowa.edu/~ghemical/gtk-gamess.shtml today and made a quick
> ebuild for gtk-gamess
> (http://dev.gentoo.org/~spyderous/overlay/sci-chemistry/gtk-gamess/).
> 
> Also of course WebMO can deal with it.

Found an interesting one: http://lasim.univ-lyon1.fr/allouche/gabedit/

Also does Gaussian, Molcas, Molpro and MPQC.

Donnie


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