[stability-pipeline]: bug for cleaning of files which have alternative atoms
Closed this issue · 4 comments
j0kaso commented
given a pdb which contains alternative atoms, those are removed but the atom numbering is not changed (not continuing). This results in a Rosetta crash.
amelie-stein commented
What removes them, the preprocessing script or the Rosetta executable (or something else)? And why does it crash?
j0kaso commented
it's the Rosetta clean script which is distributed by Rosetta. But would a non-continuous atom numbering be able to cause errors in general?
Actually, my crash came from something else... fixed already
amelie-stein commented
I've never seen atom numbering matter to Rosetta. Residues, yes.
j0kaso commented
is it still an issue? I heard in WRC people talking about not using this cleaning script but maybe it was just specific cases...