pdb-tools pdb_selaltloc removes residues with (only) alternate locations

pdb_selaltloc removes residues with (only) alternate locations

Open mgiulini opened this issue 1 year ago • 22 comments

Describe the bug pdb_selaltloc removes residues in which all atoms show alternate locations

To Reproduce

grep -rn pdb4xoj.pdb -e "SER A  85"
pdb_selaltloc pdb4xoj.pdb > pdb4xoj-occ.pdb
grep -rn pdb4xoj-occ.pdb -e "SER A  85"

Expected behavior pdb_selaltloc should not delete the residue but rather pick one of the two available alternate locations

Desktop (please complete the following information):

Dec 06 '22 11:12 mgiulini