[Biojava-l] Alternative conformation skipped

[Enrico Morelli]

Dear all,

we are trying to read the HETATM of the following cif https://files.rcsb.org/view/4KL8.cif with this code:

for (Chain c : structure.getChains()) {
            for (Group g : c.getAtomGroups(GroupType.HETATM)) {
                for (Atom a : g.getAtoms()) {
                    System.out.println(a);
                   
                }
            }
        }

But we realized that your methods doesn't read all the alternative conformation of some of the hetatm in the structure.
For instance it reads FE 12360 but not FE 12361_

HETATM 12360 FE FE  A FCO W  7  .   ? 27.605  -32.546 26.346  0.33 9.74  ?  501  FCO M FE  1 
HETATM 12361 FE FE  B FCO W  7  .   ? 27.573  -32.629 26.079  0.67 10.53 ?  501  FCO M FE  1 


Is it possible to read both or at least the one with the higher occupancy?

Thank you very much in advance

Regards
-- 
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  Enrico Morelli
  System Administrator | Programmer | Web Developer

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