23 Oct
2012
23 Oct
'12
5:08 p.m.
On Tue, Oct 23, 2012 at 9:25 AM, Jeff Headd
You are right that hydrogen nomenclature can be a real problem. While the monomer library does use the older naming convention
Not in ccp4 6.3.0, it doesn't - HB2 and HB3 are used. Patrick, where is your CCP4 monomer library coming from? It sounds like it may be out of date. Oddly, $PHENIX/chem_data/geostd/l/data_LEU.cif uses HB1/HB2, although if you use Reduce/phenix.ready_set to add hydrogens, and refine in Phenix, I think they should still have the v. 3 labels. -Nat