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 -- ben@salilab.org http://salilab.org/~ben/ "It is a capital mistake to theorize before one has data." - Sir Arthur Conan Doyle