Avogadro inside of a python GUI

Dear Avogadro developers,

I came across one man’s blog that claimed to have loaded Avogadro’s C++
libraries into 65 lines of python script and had a picture of it slowing
various molecular displays. Yet the code is nowhere to be found. Does anyone
know where I can access this code? It would be very beneficial to the
project I am currently working on.

Thanks,

Cecil

On Sat, Jul 9, 2011 at 12:31 PM, Cecil O’Dell noxstant@gmail.com wrote:

Dear Avogadro developers,

I came across one man’s blog that claimed to have loaded Avogadro’s C++
libraries into 65 lines of python script and had a picture of it slowing
various molecular displays. Yet the code is nowhere to be found. Does anyone
know where I can access this code? It would be very beneficial to the
project I am currently working on.

Can you provide a link to the blog?

Thanks,

Cecil


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Hi Cecil,

Tim is an Avogadro dev who’s been inactive for a little while – he’s
done a lot of work on the Python bindings, so I’m sure it’s possible.
He should hopefully respond soon.

I’m afraid I’ve never used the python bindings myself, but there are
some resources on the wiki:

http://avogadro.openmolecules.net/wiki/Category:Scripting

For the GUI, I’m willing to bet that he used one of the python
wrappings for Qt. I think this is the preferred Qt python wrapper
source these days:

http://www.pyside.org/

I’m cc’ing this back to the list, someone there may know of another
good resource.

Dave

On Mon, Jul 11, 2011 at 10:52 AM, Cecil O’Dell noxstant@gmail.com wrote:

I’m looking to load Avogadro into my GUI by using SWIG to access the
libraries. If that blog is actually legitimate, I would think it would
really help me accomplish my task. Unless you have another suggestion.

Thanks,

Cecil

On Mon, Jul 11, 2011 at 8:51 AM, Cecil O’Dell noxstant@gmail.com wrote:

http://timvdm.blogspot.com/2009/05/using-avogadro-library-from-python.html

On Mon, Jul 11, 2011 at 8:48 AM, David Lonie loniedavid@gmail.com wrote:

On Sat, Jul 9, 2011 at 12:31 PM, Cecil O’Dell noxstant@gmail.com wrote:

Dear Avogadro developers,

I came across one man’s blog that claimed to have loaded Avogadro’s C++
libraries into 65 lines of python script and had a picture of it
slowing
various molecular displays. Yet the code is nowhere to be found. Does
anyone
know where I can access this code? It would be very beneficial to the
project I am currently working on.

Can you provide a link to the blog?

Thanks,

Cecil


All of the data generated in your IT infrastructure is seriously
valuable.
Why? It contains a definitive record of application performance,
security
threats, fraudulent activity, and more. Splunk takes this data and
makes
sense of it. IT sense. And common sense.
http://p.sf.net/sfu/splunk-d2d-c2


Avogadro-devel mailing list
Avogadro-devel@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/avogadro-devel

For the GUI, I’m willing to bet that he used one of the python
wrappings for Qt. I think this is the preferred Qt python wrapper
source these days:

He used PyQt. I don’t think anyone has tried PySide yet.

-Geoff

On Mon, Jul 11, 2011 at 11:03 AM, Geoffrey Hutchison
geoff.hutchison@gmail.com wrote:

For the GUI, I’m willing to bet that he used one of the python
wrappings for Qt. I think this is the preferred Qt python wrapper
source these days:

He used PyQt. I don’t think anyone has tried PySide yet.

Yes, you’re right – I just found this, it may help Cecil with the GUI:

http://avogadro.openmolecules.net/wiki/Python_PyQt4

Dave