Discussion:
[Rdkit-discuss] ipywidgets & py3Dmol
Paul Czodrowski
2017-06-20 05:48:29 UTC
Permalink
Dear RDKitters,

When trying to re-run Greg's wonderful blog entry about the py3Dmol integration (https://rdkit.blogspot.de/2016/07/using-ipywidgets-and-py3dmol-to-browse.html ), I'm getting a different behavior (check the attachment with a screenshot and the jupyter notebook).

Any help would be appreciated.

Cheers,
Paul




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Axel Pahl
2017-06-20 07:34:58 UTC
Permalink
Hi Paul,

I just tried the example Notebook that you provided and it runs just as
in Greg's blog post, i.e. with the interactive slider (see attached
screenshot).
This is the configuration I used (in Anaconda):

python 3.5.3
rdkit 2017.03.2
notebook 5.0.0
ipywidgets 6.0.0
py3Dmol 0.6.3

Kind regards,
Axel
Post by Paul Czodrowski
Dear RDKitters,
When trying to re-run Greg’s wonderful blog entry about the py3Dmol
integration
(https://rdkit.blogspot.de/2016/07/using-ipywidgets-and-py3dmol-to-browse.html
), I’m getting a different behavior (check the attachment with a
screenshot and the jupyter notebook).
Any help would be appreciated.
Cheers,
Paul
This message and any attachment are confidential and may be privileged
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Paul Czodrowski
2017-06-20 07:56:59 UTC
Permalink
Dear Axel,

thanks a lot for this very helpful information!


The only difference I could figure out:
Python 2.7.13 instead of Python 3.5.3

@RDKitters:
Can this really cause such a different behavior?

Cheers,
Paul

P.S.: I'm aware of http://www.python3statement.org/ ;)


Von: Axel Pahl [mailto:***@gmx.de]
Gesendet: Dienstag, 20. Juni 2017 09:35
An: rdkit-***@lists.sourceforge.net
Betreff: Re: [Rdkit-discuss] ipywidgets & py3Dmol

Hi Paul,

I just tried the example Notebook that you provided and it runs just as in Greg's blog post, i.e. with the interactive slider (see attached screenshot).
This is the configuration I used (in Anaconda):

python 3.5.3
rdkit 2017.03.2
notebook 5.0.0
ipywidgets 6.0.0
py3Dmol 0.6.3

Kind regards,
Axel

On 20.06.2017 07:48, Paul Czodrowski wrote:
Dear RDKitters,

When trying to re-run Greg's wonderful blog entry about the py3Dmol integration (https://rdkit.blogspot.de/2016/07/using-ipywidgets-and-py3dmol-to-browse.html ), I'm getting a different behavior (check the attachment with a screenshot and the jupyter notebook).

Any help would be appreciated.

Cheers,
Paul




This message and any attachment are confidential and may be privileged or otherwise protected from disclosure. If you are not the intended recipient, you must not copy this message or attachment or disclose the contents to any other person. If you have received this transmission in error, please notify the sender immediately and delete the message and any attachment from your system. Merck KGaA, Darmstadt, Germany and any of its subsidiaries do not accept liability for any omissions or errors in this message which may arise as a result of E-Mail-transmission or for damages resulting from any unauthorized changes of the content of this message and any attachment thereto. Merck KGaA, Darmstadt, Germany and any of its subsidiaries do not guarantee that this message is free of viruses and does not accept liability for any damages caused by any virus transmitted therewith.



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Malitha Kabir
2017-06-20 08:57:56 UTC
Permalink
Dear Paul,

Kindly consider a few pieces of information provided below.

For your 2nd question:

Widgets are rendered in web browsers. So, in my sense, Python 2.7.13
instead of Python 3.5.3 should not cause problem with widget rendering.
Python 2.7.13 should work. My conda install uses Python 2.7.12 and it is
working well with the notebook you attached.

For your 1st question:

The following stackoverflow discussion might help.
https://stackoverflow.com/questions/36351109/ipython-notebook-ipywidgets-does-not-show

Kindly consider the readme of ipywidgets.
https://github.com/jupyter-widgets/ipywidgets/blob/master/README.md As per
their suggestions, if you install ipywidgets using pip then you need to
enable widgetsnbextension (widgets notebook extension) manually.

Running the following line from shell will do that for you.

jupyter nbextension enable --py --sys-prefix widgetsnbextension

Kindly try out the following code. It should show a slider in your notebook
if everything is fine.

from __future__ import print_function
import ipywidgets as widgets

slider = widgets.SelectionSlider(
options=[1,2,3],
value=1
)
slider

Probably trying with different web browser may help (I am not sure though)

Best Regards,
Malitha



On Tue, Jun 20, 2017 at 1:56 PM, Paul Czodrowski <
Post by Paul Czodrowski
Dear Axel,
thanks a lot for this very helpful information!
Python 2.7.13 instead of Python 3.5.3
Can this really cause such a different behavior?
Cheers,
Paul
P.S.: I’m aware of http://www.python3statement.org/ ;)
*Gesendet:* Dienstag, 20. Juni 2017 09:35
*Betreff:* Re: [Rdkit-discuss] ipywidgets & py3Dmol
Hi Paul,
I just tried the example Notebook that you provided and it runs just as in
Greg's blog post, i.e. with the interactive slider (see attached
screenshot).
python 3.5.3
rdkit 2017.03.2
notebook 5.0.0
ipywidgets 6.0.0
py3Dmol 0.6.3
Kind regards,
Axel
Dear RDKitters,
When trying to re-run Greg’s wonderful blog entry about the py3Dmol
integration (https://rdkit.blogspot.de/2016/07/using-ipywidgets-and-
py3dmol-to-browse.html ), I’m getting a different behavior (check the
attachment with a screenshot and the jupyter notebook).
Any help would be appreciated.
Cheers,
Paul
This message and any attachment are confidential and may be privileged or
otherwise protected from disclosure. If you are not the intended recipient,
you must not copy this message or attachment or disclose the contents to
any other person. If you have received this transmission in error, please
notify the sender immediately and delete the message and any attachment
from your system. Merck KGaA, Darmstadt, Germany and any of its
subsidiaries do not accept liability for any omissions or errors in this
message which may arise as a result of E-Mail-transmission or for damages
resulting from any unauthorized changes of the content of this message and
any attachment thereto. Merck KGaA, Darmstadt, Germany and any of its
subsidiaries do not guarantee that this message is free of viruses and does
not accept liability for any damages caused by any virus transmitted
therewith.
Click http://www.merckgroup.com/disclaimer to access the German, French,
Spanish and Portuguese versions of this disclaimer.
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Paul Czodrowski
2017-06-20 09:33:38 UTC
Permalink
Dear Malitha,
Dear RDKitters,

thanks a lot for your investigations!

Indeed, this issue seems somehow browser-related; please check the attachment which shows the output in a different browser (***@openSUSE vs. ***@Win7 from my previous mail).

I’m now able to find a button-like widget but no structure



This presumably looks like off-topic for this mailing list. However, if anyone can point into the right direction: that would be highly appreciated.


Cheers,
Paul




________________________________________
Paul Czodrowski, PhD

Global Research & Development | Discovery Technologies

Merck

Merck KGaA | Frankfurter Str. 250 | Postcode: A019/001 | 64293 Darmstadt | Germany
Phone: +49 6151 72 3218
E-mail: ***@merckgroup.com<mailto:***@merckgroup.com> | www.merckgroup.com<http://www.merckgroup.com/>
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Von: Malitha Kabir [mailto:***@gmail.com]
Gesendet: Dienstag, 20. Juni 2017 10:58
An: Paul Czodrowski <***@merckgroup.com>
Cc: rdkit-***@lists.sourceforge.net
Betreff: Re: [Rdkit-discuss] ipywidgets & py3Dmol

Dear Paul,

Kindly consider a few pieces of information provided below.

For your 2nd question:

Widgets are rendered in web browsers. So, in my sense, Python 2.7.13 instead of Python 3.5.3 should not cause problem with widget rendering. Python 2.7.13 should work. My conda install uses Python 2.7.12 and it is working well with the notebook you attached.

For your 1st question:

The following stackoverflow discussion might help.
https://stackoverflow.com/questions/36351109/ipython-notebook-ipywidgets-does-not-show

Kindly consider the readme of ipywidgets. https://github.com/jupyter-widgets/ipywidgets/blob/master/README.md As per their suggestions, if you install ipywidgets using pip then you need to enable widgetsnbextension (widgets notebook extension) manually.

Running the following line from shell will do that for you.

jupyter nbextension enable --py --sys-prefix widgetsnbextension
Kindly try out the following code. It should show a slider in your notebook if everything is fine.

from __future__ import print_function
import ipywidgets as widgets

slider = widgets.SelectionSlider(
options=[1,2,3],
value=1
)
slider

Probably trying with different web browser may help (I am not sure though)

Best Regards,
Malitha



On Tue, Jun 20, 2017 at 1:56 PM, Paul Czodrowski <***@merckgroup.com<mailto:***@merckgroup.com>> wrote:
Dear Axel,

thanks a lot for this very helpful information!


The only difference I could figure out:
Python 2.7.13 instead of Python 3.5.3

@RDKitters:
Can this really cause such a different behavior?

Cheers,
Paul

P.S.: I’m aware of http://www.python3statement.org/ ;)


Von: Axel Pahl [mailto:***@gmx.de<mailto:***@gmx.de>]
Gesendet: Dienstag, 20. Juni 2017 09:35
An: rdkit-***@lists.sourceforge.net<mailto:rdkit-***@lists.sourceforge.net>
Betreff: Re: [Rdkit-discuss] ipywidgets & py3Dmol

Hi Paul,

I just tried the example Notebook that you provided and it runs just as in Greg's blog post, i.e. with the interactive slider (see attached screenshot).
This is the configuration I used (in Anaconda):

python 3.5.3
rdkit 2017.03.2
notebook 5.0.0
ipywidgets 6.0.0
py3Dmol 0.6.3

Kind regards,
Axel
On 20.06.2017 07:48, Paul Czodrowski wrote:
Dear RDKitters,

When trying to re-run Greg’s wonderful blog entry about the py3Dmol integration (https://rdkit.blogspot.de/2016/07/using-ipywidgets-and-py3dmol-to-browse.html ), I’m getting a different behavior (check the attachment with a screenshot and the jupyter notebook).

Any help would be appreciated.

Cheers,
Paul




This message and any attachment are confidential and may be privileged or otherwise protected from disclosure. If you are not the intended recipient, you must not copy this message or attachment or disclose the contents to any other person. If you have received this transmission in error, please notify the sender immediately and delete the message and any attachment from your system. Merck KGaA, Darmstadt, Germany and any of its subsidiaries do not accept liability for any omissions or errors in this message which may arise as a result of E-Mail-transmission or for damages resulting from any unauthorized changes of the content of this message and any attachment thereto. Merck KGaA, Darmstadt, Germany and any of its subsidiaries do not guarantee that this message is free of viruses and does not accept liability for any damages caused by any virus transmitted therewith.



Click http://www.merckgroup.com/disclaimer to access the German, French, Spanish and Portuguese versions of this disclaimer.



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Malitha Kabir
2017-06-20 10:55:26 UTC
Permalink
Dear Paul,

From your response, I think your ipywidgets is working fine. Now, you are
facing trouble with py3Dmol.

py3Dmol basically generates JavaScript codes (3Dmol.js) and IPython injects
those in web browser. So, will you kindly share what error printed in your
browser console?

Off topic: The following link shows how to see browser console from Google
Chrome https://developers.google.com/web/tools/chrome-devtools/console/

Best regards,
Malitha



On Tue, Jun 20, 2017 at 3:33 PM, Paul Czodrowski <
Post by Paul Czodrowski
Dear Malitha,
Dear RDKitters,
thanks a lot for your investigations!
Indeed, this issue seems somehow browser-related; please check the
I’m now able to find a button-like widget but no structure

This presumably looks like off-topic for this mailing list. However, if
anyone can point into the right direction: that would be highly appreciated.
Cheers,
Paul
________________________________________
Paul Czodrowski, PhD
Global Research & Development | Discovery Technologies
*Merck*
Merck KGaA | Frankfurter Str. 250 | Postcode: A019/001 | 64293 Darmstadt | Germany
Phone: +49 6151 72 3218 <+49%206151%20723218>
Mandatory information can be found at: http://www.merckgroup.com/
mandatories
Pflichtangaben finden Sie unter: http://www.merckgroup.com/mandatories
*Gesendet:* Dienstag, 20. Juni 2017 10:58
*Betreff:* Re: [Rdkit-discuss] ipywidgets & py3Dmol
Dear Paul,
Kindly consider a few pieces of information provided below.
Widgets are rendered in web browsers. So, in my sense, Python 2.7.13
instead of Python 3.5.3 should not cause problem with widget rendering.
Python 2.7.13 should work. My conda install uses Python 2.7.12 and it is
working well with the notebook you attached.
The following stackoverflow discussion might help.
https://stackoverflow.com/questions/36351109/ipython-
notebook-ipywidgets-does-not-show
Kindly consider the readme of ipywidgets. https://github.com/jupyter-
widgets/ipywidgets/blob/master/README.md As per their suggestions, if you
install ipywidgets using pip then you need to enable widgetsnbextension
(widgets notebook extension) manually.
Running the following line from shell will do that for you.
jupyter nbextension enable --py --sys-prefix widgetsnbextension
Kindly try out the following code. It should show a slider in your
notebook if everything is fine.
from __future__ import print_function
import ipywidgets as widgets
slider = widgets.SelectionSlider(
options=[1,2,3],
value=1
)
slider
Probably trying with different web browser may help (I am not sure though)
Best Regards,
Malitha
On Tue, Jun 20, 2017 at 1:56 PM, Paul Czodrowski <
Dear Axel,
thanks a lot for this very helpful information!
Python 2.7.13 instead of Python 3.5.3
Can this really cause such a different behavior?
Cheers,
Paul
P.S.: I’m aware of http://www.python3statement.org/ ;)
*Gesendet:* Dienstag, 20. Juni 2017 09:35
*Betreff:* Re: [Rdkit-discuss] ipywidgets & py3Dmol
Hi Paul,
I just tried the example Notebook that you provided and it runs just as in
Greg's blog post, i.e. with the interactive slider (see attached
screenshot).
python 3.5.3
rdkit 2017.03.2
notebook 5.0.0
ipywidgets 6.0.0
py3Dmol 0.6.3
Kind regards,
Axel
Dear RDKitters,
When trying to re-run Greg’s wonderful blog entry about the py3Dmol
integration (https://rdkit.blogspot.de/2016/07/using-ipywidgets-and-
py3dmol-to-browse.html ), I’m getting a different behavior (check the
attachment with a screenshot and the jupyter notebook).
Any help would be appreciated.
Cheers,
Paul
This message and any attachment are confidential and may be privileged or
otherwise protected from disclosure. If you are not the intended recipient,
you must not copy this message or attachment or disclose the contents to
any other person. If you have received this transmission in error, please
notify the sender immediately and delete the message and any attachment
from your system. Merck KGaA, Darmstadt, Germany and any of its
subsidiaries do not accept liability for any omissions or errors in this
message which may arise as a result of E-Mail-transmission or for damages
resulting from any unauthorized changes of the content of this message and
any attachment thereto. Merck KGaA, Darmstadt, Germany and any of its
subsidiaries do not guarantee that this message is free of viruses and does
not accept liability for any damages caused by any virus transmitted
therewith.
Click http://www.merckgroup.com/disclaimer to access the German, French,
Spanish and Portuguese versions of this disclaimer.
------------------------------------------------------------------------------
Check out the vibrant tech community on one of the world's most
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message which may arise as a result of E-Mail-transmission or for damages
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any attachment thereto. Merck KGaA, Darmstadt, Germany and any of its
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not accept liability for any damages caused by any virus transmitted
therewith.
Click http://www.merckgroup.com/disclaimer to access the German, French,
Spanish and Portuguese versions of this disclaimer.
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message which may arise as a result of E-Mail-transmission or for damages
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any attachment thereto. Merck KGaA, Darmstadt, Germany and any of its
subsidiaries do not guarantee that this message is free of viruses and does
not accept liability for any damages caused by any virus transmitted
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Click http://www.merckgroup.com/disclaimer to access the German, French,
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