On 08/07/2009 10:59 AM, Daniel Russel wrote: > Cool, so we could then just standardize on using PDB atom names for the > AtomType. Do we need to add an "Het" as a prefix to the string to make > it unique?
No, because it's not the atom names that are unique - it's the residue+atom name pair that is. In PDB atom names only have to be unique within the residue - you can't use them as types.
Ben