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prec: update unmodeled residue icode
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avivrosenberg committed May 26, 2024
1 parent 9c78ed8 commit c406360
Showing 1 changed file with 3 additions and 3 deletions.
6 changes: 3 additions & 3 deletions src/pp5/prec.py
Original file line number Diff line number Diff line change
Expand Up @@ -87,8 +87,8 @@
backbone_only=True, unit_cell=None, isotropic=True, scale_as_bfactor=True
)

# Special insertion code to mark a residue that was missing from the structure.
ICODE_MISSING_RESIDUE = "M"
# Special insertion code to mark a residue that is unmodeled the structure.
ICODE_UNMODELED_RES = "UNMODELED"


class ResidueRecord(object):
Expand Down Expand Up @@ -899,7 +899,7 @@ def __init__(
missing_res_name_single = pdb_meta_aa_seq[curr_meta_seq_idx]
missing_res_name = ACIDS_1TO3[missing_res_name_single]
curr_residue = Residue(
(" ", curr_meta_seq_idx, ICODE_MISSING_RESIDUE), missing_res_name, 0
(" ", curr_meta_seq_idx, ICODE_UNMODELED_RES), missing_res_name, 0
)
missing_residues.append(curr_residue)

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