Closed electronicsbyjulie closed 1 year ago
This should be fixed right away before continuing with the cron fixes.
Would also be good to create a unit test for hydrogenate() generating coplanar hydrogens in side chains that should have them: Arg, Asn, Gln, His, Phe, Trp, Tyr.
The coupled homology branch has a fix for this one.
It looks like the way to test this would be to re-add the hydrogenate_add_missing_heavy_atoms
code, enable it, and generate a coupled PDB.
Confirmed, still happening, in both the G protein (first image) and the receptor (second image).
There are missing and extra hydrogens, but coplanarity is being observed now.
This is from the hGNAL PDB: