Hi,

when I refine a ligand with hydrogens in coot using realspace refinement, the hydrogens explode into the surrounding density. This only happens with ligand/cif files generated in elbow and not libcheck. Coot apparently needs and additional loop in the .cif file: _chem_comp_tree.xxxx, which is missing from the elbow output.

Unfortunately the geometry generated by libcheck is pretty dismal, so I can probably get around this by running libcheck on the refined coords from elbow ...

Nigel, is it possible to fix elbow for the next rc?

PS I am running the latest phenix (rc6) and coot 0.33 if that helps.

Cheers

        Carsten