On 08/07/2009 10:37 AM, Daniel Russel wrote: > A simpler hack is to just prefix hetatoms with "H" since I'm pretty sure > the atom types for ATOM records are all well defined. My guess is that > hetatom types in the PDB are a bit of a mess, but perhaps things are > better than that :-)
Fortunately as of the last remediation of PDB, they have a standardized dictionary for HETATMs. So while many things in PDB are still a mess, atom names are not (at last).
Ben