AutomationFragmentation_failures
Candidate_v1.6.1
ChemicalSpaceEvaluator
Enhanced_StructuralOptimization_continued
Exclude_Hydrogens_annealWithBondGraph
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_contraction-expansion
Gui_displays_atomic_force_velocity
PythonUI_with_named_parameters
StoppableMakroAction
TremoloParser_IncreasedPrecision
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1 | 6
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2 | Created by molecuilder for SaveSelectedMolecules test
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3 | O 0 0 0
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4 | H 0.758602 0 0.504284
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5 | H 0.758602 0 -0.504284
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6 | O 5 0 0
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7 | H 5.758602 0 0.504284
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8 | H 5.758602 0 -0.504284
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