Searched defs:hydroxyl (Results 1 – 3 of 3) sorted by relevance
| /dports/science/py-MDAnalysis/MDAnalysis-0.19.2/MDAnalysis/analysis/ |
| H A D | nuclinfo.py | 681 def hydroxyl(universe, seg, i): function
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| /dports/science/cdk/cdk-cdk-2.3/storage/smiles/src/test/java/org/openscience/cdk/smiles/ |
| H A D | SmilesGeneratorTest.java | 454 Atom hydroxyl = new Atom("O"); in testPartitioning() local
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| /dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/core/ |
| H A D | func_groups.json | 1 … [0.15, 1.2, 0.0], [1.2, 1.2, 0.0]], "species": ["X", "C", "C", "H"]}, "hydroxyl": {"coords": [[-2… object
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