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Turn off infer_residues for visualize step (#1129)
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* turn off infer_residues for visualize step

* fix typo

* update importlib_resources
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daico007 authored Jun 29, 2023
1 parent 474b65f commit 0f7c070
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Showing 2 changed files with 3 additions and 1 deletion.
1 change: 1 addition & 0 deletions mbuild/compound.py
Original file line number Diff line number Diff line change
Expand Up @@ -1901,6 +1901,7 @@ def _visualize_py3dmol(self, show_ports=False, color_scheme={}):
os.path.join(tmp_dir, "tmp.mol2"),
show_ports=show_ports,
overwrite=True,
parmed_kwargs={"infer_residues": False},
)

view = py3Dmol.view()
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3 changes: 2 additions & 1 deletion mbuild/utils/io.py
Original file line number Diff line number Diff line change
Expand Up @@ -19,14 +19,15 @@
##############################################################################
"""
import importlib
import importlib.resources as resources
import inspect
import os
import sys
import textwrap
import warnings
from unittest import SkipTest

import importlib_resources as resources


class DelayImportError(ImportError, SkipTest):
"""Error to allow better import handling."""
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