Acellera / htmd

HTMD: Programming Environment for Molecular Discovery
https://software.acellera.com/docs/latest/htmd/index.html
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view(viewer='ngl') doesn't work #157

Closed huanyusb closed 8 years ago

huanyusb commented 8 years ago

I try the example on the homepage of htmd.org, here is the output: screenshot from 2016-10-13 11-24-56

the ngl viewer shows a blank page. I also tried the nglviwer module: https://github.com/arose/nglview It works well. Could anybody give me some instructions? Thank you.

stefdoerr commented 8 years ago

Hm works fine for me. Could you try updating ngl with conda update nglview ? Mine is on version 0.4

tmp

huanyusb commented 8 years ago

I tried nglviwer 0.4 and 0.5, but both of them failed.

giadefa commented 8 years ago

which browser?

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I triednglviwer 0.4 and 0.5, but both of them failed.

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huanyusb commented 8 years ago

@giadefa It's Chrome, version 53.0.2785.143 (64-bit), on a ubuntu 16.04 desktop

j3mdamas commented 8 years ago

Which versions of ipython and notebook do you have?

conda list | egrep "(notebook|ipython )"
hainm commented 8 years ago

FYI: nglview API was changed significantly for better performance. https://github.com/arose/nglview/blob/master/nglview/adaptor.py#L178-L210

htmd dev might need to update your code: https://github.com/Acellera/htmd/blob/master/htmd/molecule/molecule.py#L1004

cheers

j3mdamas commented 8 years ago

thanks for the tip @hainm. still, that should be in 0.5, and this seems to occur also on 0.4.

huanyusb commented 8 years ago

@j3mdamas the ipython version is 4.1.2 and the notebook version is 4.2.1

j3mdamas commented 8 years ago

ngl does not work for me at all. need to check what is going on.

j3mdamas commented 8 years ago

We are on the way of fixing this. @stefdoerr already updated nglview.

Apparently there is a lingering problem with jupyter, where we need to enable the nlgview extension:

jupyter nbextension enable --py widgetsnbextension
jupyter nbextension enable --py nglview
hainm commented 8 years ago

jupyter nbextension enable --py nglview

No, you don't need to do that. nglview does itself. https://github.com/arose/nglview/blob/master/setup.py#L34

stefdoerr commented 8 years ago

@hainm Yes but who calls setup.py if you install via conda?

stefdoerr commented 8 years ago

I tried on other computers after it worked for me and it didn't work through conda alone. Installing with github repo and setup.py worked in all cases. Also with conda and the two commands Joao mentioned it worked. So it seems that if you install through conda the extension is not enabled.

hainm commented 8 years ago

you should update your conda recipe. e.g: https://github.com/conda-forge/ipyleaflet-feedstock/blob/master/recipe/post-link.sh

stefdoerr commented 8 years ago

oh ok. @mj-harvey can you do that?

j3mdamas commented 8 years ago

So, with 0.5.2 py35_4 acellera it is working. in the current master. It will be available on the next release (1.5.2)

btw, thank you very much for your input @hainm !

mj-harvey commented 8 years ago

Fixed in devel and next release