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rebond
view_in_pymol
1 parent e46cc1f commit fa89f97Copy full SHA for fa89f97
spdkit/__init__.py
@@ -144,18 +144,11 @@ def to_pmg_periodic_site(atom: Atom, lattice):
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# fbe586a0 ends here
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# [[file:../spdkit-python.note::ec59e65f][ec59e65f]]
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-def view_in_pymol(mol: Molecule, rebond=False, format="pdb"):
+def view_in_pymol(mol: Molecule, format="mol2"):
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"""View molecule object using pymol."""
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import subprocess, tempfile
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import time
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- if rebond:
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- # rebuild connectivity without periodic images
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- lat = mol.unbuild_crystal()
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- mol.rebond()
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- if lat:
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- mol.set_lattice(lat)
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-
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with tempfile.NamedTemporaryFile(mode="w", suffix=f".{format}") as f:
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molfile = f.name
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title = mol.title
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