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 <> 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()?