We are working on this. We are changing to pdb v3 (or whatever) there
we have a lot of peptides.
If you see in the current version some residue that should be L-
peptide but has not been declared so then it should be corrected.
Garib
On 19 Feb 2009, at 09:22, Paul Emsley wrote:
Garib Murshudov wrote:
Have you declared your modified LYS as L-peptide. It should be be
done in the beginning like:
data_comp_list
loop_
_chem_comp.id
_chem_comp.three_letter_code
_chem_comp.name
_chem_comp.group
_chem_comp.number_atoms_all
_chem_comp.number_atoms_nh
_chem_comp.desc_level
LYS LYS 'LYSINE ' L-peptide 22
9 .
Garib,
Many of the modified lysines in the Refmac dictionary are not marked
as L-peptides. Is that something that needs to be fixed in the
dictionary?
Paul.
