AutomationFragmentation_failures
Candidate_v1.6.1
Candidate_v1.7.0
ChemicalSpaceEvaluator
Exclude_Hydrogens_annealWithBondGraph
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_contraction-expansion
Gui_displays_atomic_force_velocity
PythonUI_with_named_parameters
StoppableMakroAction
TremoloParser_IncreasedPrecision
stable
| Line | |
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| 1 | 6
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| 2 | Created by molecuilder for select-molecule-by-id test
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| 3 | O 0 0 6.21857
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| 4 | H 0.758602 0 6.72285
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| 5 | H 0.758602 0 5.71429
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| 6 | O 0 0 11.9329
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| 7 | H 0.758602 0 12.4371
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| 8 | H 0.758602 0 11.4286
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|---|
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