a pdb might contain chains of an assembly, not all multiple chains are NMR structures. I think read_pdb is fine as is, but in case it would be decided to follow your suggestion, I vote for an additional function: read_pdb_assembly.
Oct 8, 2009, at 6:55 PM, Daniel Russel wrote:
> We need to clean up what happens when multiple molecules are loaded > from a PDB. My current favorite is to > - make the current read_pdb only support loading a single protein > (chain) from the first model of a PDB file and return it as a > Hierarchy with the root being a PROTEIN. It can spit out warnings if > there are other molecules in there. > > - add a read_model_from_pdb which loads all molecules from a given > model in the PDB (defaulting to the first) and which returns an > array of Hierarchy decorators each of which has a root of either a > PROTEIN or a MOLECULE (or some other name to specify a molecule that > is not a protein or nucleic acid). > > Thoughts? > _______________________________________________ > IMP-dev mailing list > IMP-dev@salilab.org > https://salilab.org/mailman/listinfo/imp-dev