23 May
2008
23 May
'08
1:27 p.m.
Should phenix.refine be able to handle OXT?
Yes.
I find it is moving the OXT atom ~2A from where it should be.
This shouldn't happen unless the atoms the OXT is bonded to are missing and it is floating around in isolation. Could you check the OXT bonds in the .geo file? (I hope it is obvious.) If you send me the fragment of our PDB file with the terminus and maybe a few residues before that I'll take a look. Ralf