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khb7840 committed Apr 25, 2023
1 parent ea5a010 commit f20f57f
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Showing 2 changed files with 5 additions and 5 deletions.
2 changes: 1 addition & 1 deletion foldcomp/__init__.py
Original file line number Diff line number Diff line change
@@ -1,3 +1,3 @@
from .foldcomp import *
from .setup import setup, setup_async
from .util import split_pdb_by_chain
from .util import split_pdb_by_chain
8 changes: 4 additions & 4 deletions foldcomp/util.py
Original file line number Diff line number Diff line change
Expand Up @@ -2,16 +2,16 @@ def split_pdb_by_chain(pdb_str):
"""Split a PDB string into a list of PDB strings, one for each chain."""
pdb_list = []
chain = None
chain_str = ''
chain_str = ""
for line in pdb_str.splitlines():
if line.startswith('ATOM'):
if line.startswith("ATOM"):
if chain is None:
chain = line[21]
elif line[21] != chain:
pdb_list.append(chain_str)
chain_str = ''
chain_str = ""
chain = line[21]
chain_str += line + '\n'
chain_str += line + "\n"
else:
continue
pdb_list.append(chain_str)
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