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fix conversion of nucleic acids names
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@clami66
clami66 committed Aug 27, 2024
1 parent 558ff9e commit 622824f
Showing 1 changed file with 3 additions and 3 deletions.
6 changes: 3 additions & 3 deletions src/DockQ/parsers.py
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Original file line number Diff line number Diff line change
Expand Up @@ -208,7 +208,7 @@ def _build_structure(self, structure_id, chains, parse_hetatms):
resname1 = (
seq1(current_resname, custom_map=custom_map)
if len(current_resname) == 3
else current_resname[:-1]
else current_resname[-1]
if (len(current_resname) == 2)
else current_resname
)
Expand Down Expand Up @@ -432,7 +432,7 @@ def _parse_coordinates(self, coords_trailer, chains=[], parse_hetatms=False):
resname1 = (
seq1(current_resname, custom_map=custom_map)
if len(current_resname) == 3
else current_resname[:-1]
else current_resname[-1]
if (len(current_resname) == 2)
else current_resname
)
Expand All @@ -453,7 +453,7 @@ def _parse_coordinates(self, coords_trailer, chains=[], parse_hetatms=False):
resname1 = (
seq1(current_resname, custom_map=custom_map)
if len(current_resname) == 3
else current_resname[:-1]
else current_resname[-1]
if (len(current_resname) == 2)
else current_resname
)
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