I have used JLigand v 0.2.1 to create a link between a Thr residues and
a covalent adduct. The adduct refines well and shows up as a covalent
bond in PyMOL. However, when I'm in Coot there is no bond present
between the Thr OG1 and the ligand. I've loaded the Jligand link.lib
file that I create
I have a 2.0A data set that I solved using an ensemble of 5 related
structures in Phaser. My Z-scores for the solution are fantastic (RFZ=
28.7, TFZ=24.6), but my LLG is very negative (-698.2). The LLG increases
by almost 800 (started at -1488.6) during the course of the run. The
density for th
