HiŁ¬
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 itemˇ®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? ˇˇShould I update the atom name
description?
Hongjun Yu
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