diff --git a/src/pp5/prec.py b/src/pp5/prec.py index 2af8f8a..f56e410 100644 --- a/src/pp5/prec.py +++ b/src/pp5/prec.py @@ -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): @@ -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)