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Merge branch 'examples' into adduct-ensemble
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smcolby committed Aug 8, 2023
2 parents 36299a2 + 34040ec commit f65ada2
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2 changes: 1 addition & 1 deletion examples/collision_cross_section.py
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@@ -1,7 +1,7 @@
import isicle

# Load example structure
geom = isicle.geometry.load('example.smi')
geom = isicle.load('example.smi')

# Desalt
geom = geom.desalt()
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2 changes: 1 addition & 1 deletion examples/nmr_chemical_shifts.py
Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
import isicle

# Load example structure
geom = isicle.geometry.load('example.smi')
geom = isicle.load('example.smi')

# Optional desalt
geom = geom.desalt()
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