chemiscope
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lab-cosmo
An interactive structure/property explorer for materials and molecules
Is there any way to select more than one atom at a time? I'd like to figure out what's in common to the atoms in a particular cluster that I...
Hey all, This is working great so far. Except that my models are coarse-grained, so the bonds that come out from automatic assignment are not correct. I have the topology...
Proposition of logging utility that supports logging messages at different levels (info, warn, error) and allows adding custom handlers for each log level. The aim is to replace `sendWarning` /...
A direct passing of an MDAnalysis `AtomGroup` would be very helpful for people from the Bio molecular dynamics field. As @Luthaf already mentioned one should implement a file similar to...
There's a lot of potential in the interaction between the chemiscope widget and a notebook interface. Currently this is mostly based on exposing a traitlet interface for settings. There are...
