Usual apologies for non-CCP4 question.
I have been working on two high resolution protein structures using
Shelx for refinement.
I included idealised riding C-H and mainchain amide N-H hydrogens in
the refinement. In the PDB output by Shelxl the hydrogen atom names
for valine, threonine, isoleucine and leucine are truncated from four
characters (in the .res) to three. This results in duplicate names for
atoms in these residues which is causing difficulties in depositing
the structures. Each structure has over 1000 residues in the
asymmetric unit so manually altering the names without introducing
other errors is difficult. Does anyone know of any workaround?
cheers
Alice
Alice Dawson
Biological Chemistry and Drug Discovery
College of Life Sciences
The Welcome Trust Building
University of Dundee
Dow Street
Dundee DD1 5EH
Tel. 01382 385744
a.x.daw...@dundee.ac.uk
