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Remove warning
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brennanaba committed Oct 14, 2021
1 parent 08bbf0a commit d5373de
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Showing 2 changed files with 3 additions and 3 deletions.
4 changes: 2 additions & 2 deletions ABlooper/ABlooper.py
Original file line number Diff line number Diff line change
Expand Up @@ -195,10 +195,10 @@ def write_predictions_in_pdb_format(self, file_name=None, to_be_rewritten=None):
if self.refine:
if self.refine_method == "openmm" and openmm_available:
old_text = openmm_refine(old_text, self.CDR_with_anchor_slices)
header.append("REMARK REFINEMENT DONE USING OPENMM" + 42 * "" + "\n")
header.append("REMARK REFINEMENT DONE USING OPENMM" + 42 * " " + "\n")
else:
old_text = rosetta_refine(old_text, self.CDR_with_anchor_slices)
header.append("REMARK REFINEMENT DONE USING PYROSETTA" + 39 * "" + "\n")
header.append("REMARK REFINEMENT DONE USING PYROSETTA" + 39 * " " + "\n")

new_text = "".join(header + old_text)

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2 changes: 1 addition & 1 deletion ABlooper/openmm_refine.py
Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
import pdbfixer
import tempfile
from io import StringIO
from simtk.openmm import app, LangevinIntegrator, CustomExternalForce
from openmm import app, LangevinIntegrator, CustomExternalForce
from simtk import unit


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