1) If I phosphorylate a THR, it comes up with the wrong chirality at
CB. Looking at the dictionary file generated libcheck_TPO.cif,
for some reason it specified it a "both" chirality which is wrong
TPO chir_02 CB CA CG2 OG1 both
Editing this to match THR.cif
TPO chir_02 CB CA OG1 CG2 positiv
gives the correct chirality (after rebuild or regularisation)
2) Since there are no rotamers for TPO, I tried using the chi angles
editing,but picking the CA-CB bond rotates the main chain instead of
the side chain
Phil
