Hi, I am using CNS to refine the structure.But when I come to bgroup refinement, the produced bgroup.pdb have many residues with very high B factor. I read the bgroup.inp, and found the item‘B-factor groups'with following description: {* select atoms in group 1 - protein mainchain example *} {===>} bg_group_1=((resname ALA or resname ARG or resname ASN or resname ASP or resname CYS or resname GLN or resname GLU or resname GLY or resname HIS or resname ILE or resname LEU or resname LYS or resname MET or resname MSE or resname PHE or resname PRO or resname SER or resname THR or resname TRP or resname TYR or resname VAL or resname HISH or resname HISU or resname M3L or resname CPR) and (name c or name n or name ca or name o or name ot+)); The atom name description seems different from the corresponding name in the pdb (capital and small letter). Is it the problem? Should I update the atom name description?
Hongjun Yu