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
--
-----------------------------------------------------------
Enrico Morelli
System Administrator | Programmer | Web Developer
CERM - Polo Scientifico
via Sacconi, 6 - 50019 Sesto Fiorentino (FI) - ITALY
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