yes - probably should not be stored, but still doing something like: atom = IMP::atom::Atom::create(p,IMP::atom::AT_CA) connecting this atom to a molecule ( with residue and chain of course) and then writing the molecule as pdb, results in a error unknown element in get_element. On Aug 6, 2009, at 7:05 PM, Daniel Russel wrote:
> It should get it from the aromtype for all properly initialized atom > types. If it isn't currently doing that blame Dina :-) we should be > able to fix it easily. > > I'm not sure there is a reason to store the element in the particle > rather than just look it up from the atomtype when get_element is > called. Is there? > > > > On Aug 6, 2009, at 6:31 PM, Keren Lasker kerenl@salilab.org wrote: > >> seems that now element is needed for writing atoms in pdb format. >> Would not it make sense to set the value of element in >> Atom::create()? >> _______________________________________________ >> IMP-dev mailing list >> IMP-dev@salilab.org >> https://salilab.org/mailman/listinfo/imp-dev > _______________________________________________ > IMP-dev mailing list > IMP-dev@salilab.org > https://salilab.org/mailman/listinfo/imp-dev