Daniel Smith
Daniel Smith
Yup, this is something that we have been looking at doing for some time. The major issue is that our 3dMol.js pick for molecular visualization is not DOM-wrapped which means...
@hainm We could give you any of those formats. Looking through your docs I see [this](https://github.com/arose/nglview/blob/master/examples/images/display_ccp4_file.md) which I missed before (sorry!). Could you provide orbital rendering similar to what you...
Ok, I'm sold :). I will look into integration when I get from a few trips. PS: Will you happen to be at ACS? Might be a good time to...
Thanks, it looks interesting. Running a function on a query and every molecule in the database would be too expensive. We may be able to get by with a sieve...
I dont thinks this is out of scope and is actually quite cool :) I need to think on various aspects, we might pull in a few of our visualization...
@andysim Do you want to go ahead and get this in? We need to take a repo snapshot for the paper in the next several days.
@andysim Poke.
One note is that we seem to be behind Plotly these days: https://plot.ly/python/3d-surface-plots/ Might be worth a look.
I think this would be great to do as well. Can you help direct anyone else who has similar questions or thoughts to this thread so that we can properly...
Excellent! @SimonBoothroyd @jaimergp can you both answer a few questions: - For the control and generation of new tasks (e.g., python functions) what workflow tools do you use? - How...