Hi Andy, you could check with Atom.getFullname(), which contains the space characters from the PDB file: e.g Calpha: " CA ", Calcium "CA "
in addition the parent group of a Calpha atom is usually an AminoAcid and for Calciums it is a Hetatom group... Andreas On Fri, Apr 23, 2010 at 3:58 PM, Andy Thomas-Cramer < [email protected]> wrote: > > > Is there an easy way to identify the type of atom referenced by an Atom > object? > > For example, if Atom.getName() is "CA", is the element calcium or the > atom carbon alpha? > > If not, would it be feasible to add a method providing this in Atom, > AtomImpl, and parsing it in PDBFileParser, using the columns defined at > http://www.wwpdb.org/documentation/format32/sect9.html#ATOM? > > > > _______________________________________________ > Biojava-l mailing list - [email protected] > http://lists.open-bio.org/mailman/listinfo/biojava-l > -- ----------------------------------------------------------------------- Dr. Andreas Prlic Senior Scientist, RCSB PDB Protein Data Bank University of California, San Diego (+1) 858.246.0526 ----------------------------------------------------------------------- _______________________________________________ Biojava-l mailing list - [email protected] http://lists.open-bio.org/mailman/listinfo/biojava-l
