Alexander Rose
Alexander Rose
We would need to change the order in which post-processing effects are applied. I think I try to clean that up when merging the DoF effect (#1103)
That is a bug in our automatic code to assign aromatic rings. You can switch it off, but note that structures from the PDB may not have full bond order/aromatic...
@rjdirisio still on it?
Hey @JonStargaryen and @midlik I would very much appreciate it if you could raise this issue in your teams and see if you can contribute a solution. Thank you 🙏!
33 is for Float64 arrays
Not sure it is in the spec. Here is the normative implementation... https://github.com/molstar/molstar/blob/master/src/mol-io/common/binary-cif/encoding.ts#L60-L72
Yeah it should. the spec could definitely use an overhaul.
I'd look at the molstar implementation or this minimal python implementation https://gist.github.com/dsehnal/b06f5555fa9145da69fe69abfeab6eaf
currently defined here https://github.com/arose/ngl/blob/master/examples/js/gui.js#L1462 best would be if you could ask the server via RESTful API for the list of formats