Hi,
I'm getting a glitch when I try to read my pseudo PDB files from
CNS (as pseudoPDB with IUPAC naming). When reading the terminal
carboxylic acid oxygens O & OXT, formatConverter offers to link both to O'
(but not O'') and then complains (sensibly) about assigning two sets of
coords to one atom:
Error: coordinate atom O' ( ,129) already exists and already has a coordinate
Is the problem on the formatConverter side, or is my atom naming wrong?
--
Dr. Brian O. Smith ---------------------- B Smith at bio gla ac uk
Division of Biochemistry & Molecular Biology,
Institute Biomedical & Life Sciences,
Joseph Black Building, University of Glasgow, Glasgow G12 8QQ, UK.
Tel: 0141 330 5167/6459/3089 Fax: 0141 330 8640
