New feature in #ipymolstar v0.0.7: You can now use the mouseover event to highlight protein residues bidirectionally between #altair charts.
In this example the colors represent PyHDX derived #hdxms ΔG's (roughly local flexibility)
FRET correlation functions, a new model-free analysis tool. For dynamics from nano to milliseconds in diffusion-based smFRET experiments. Clean correlation functions, no diffusion component left. Perfect to verify HMM fits. https://t.co/cmzNuNQQn8
Code available on @py_cafe: https://t.co/Qo353OI1se
This is using altair's JupyterChart which works really well if you want to get selections with python. You can't set selections yet, so I'm 'manually' setting the x-pos of the line. Is there a better way?
#anywidget@vega_vis
New feature in #ipymolstar v0.0.7: You can now use the mouseover event to highlight protein residues bidirectionally between #altair charts.
In this example the colors represent PyHDX derived #hdxms ΔG's (roughly local flexibility)
Just out in time for Michele's viva tomorrow - his Magnum Opus (what a 4 month progress report can turn into!). Anything you ever didn't care to ask about HDX software is here - well almost 🙂 And good luck tomorrow morning for x-less Michele!
You can now use ipymolstar in panel apps 🥳
ipymolstar v0.0.6 adds panel's AnyWidgetComponent so you can interact with the PDBeMolstar widget directly from panel/python🐍
@Panel_org@MarcSkovMadsen@PhilippJFR
By popular demand: How much monomer/dimer/tetramer are formed at steady-state given the two kds and the total concentration of protomer? 🧐
https://t.co/gSY31dJvBF
Here is another fun one over on @py_cafe ☕️
Protein residue coloring in ipymolstar is now super fast with the latest PDBeMolstar version.
Makes for very responsive protein viewer apps!
And supports dark mode 😎
@maartenbreddels@py_cafe sharing = caring 😃
@py_cafe makes it super easy to share small apps with my lab mates
Here is doing something we deal with a lot: calculate monomer-dimer steady state kinetics
All i have to do is paste in the code and share the link:
https://t.co/QyAn3SreCx
Super excited to announce the pre-release of @py_cafe 🎉
https://t.co/XybqBunNyn is a platform that lets you create, run, edit, and share Python (web) applications directly in your browser. No installation is needed—just a single click, and it runs!
#Python#pyodide
🧵👇🏻
#alphafold3 is incredible!
I've created this #solara app where you can drag & drop your result .zip file and switch between chain color or plddt colors. Includes 'spin' and theme toggle for maximal viewing pleasure.
The video below shows the elusive SecA2/SecB4 complex.
@AlisterBurt@molstar0 Thanks!
Have you also seen mol-view-spec? I haven't tried it yet but looks quite powerful. Can be used from python as well, not sure how interactive you can make it, I think only one-way.
https://t.co/6WPzHSvmv4
@AlisterBurt@molstar0 yes indeed !
ipymolstar is based on anywidget, and uses the PDBEmolstar implementation, selection/coloring is already added.
There is a demo of this within a #solara app here: https://t.co/IT0UvDeRA2
I'm planning to add hover/click callbacks
@drchristhorpe yes, its possible. I need to work on the ipymolstar documentation, but the PDBeMolstar docs might also help. Links are in ipymolstar github page
Meanwhile there is example code at the solara demo app: https://t.co/IT0UvDeRA2