AaronTools.py/ring_conformers.json at master · QChASM/AaronTools.py · GitHub

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{
    "5": {
        "tetrahedral, tetrahedral, tetrahedral, tetrahedral, tetrahedral": {
			"common": [
				[-37.9, 37.9, -23.6, 0, 23.6],
				[37.9, -37.9, 23.6, 0, -23.6],
				[37.9, -23.6, 0, 23.6, -37.9],
				[-37.9, 23.6, 0, -23.6, 37.9],
				[-23.6, 0, 23.6, -37.9, 37.9],
				[23.6, 0, -23.6, 37.9, -37.9],
				[0, 23.6, -37.9, 37.9, -23.6],
				[0, -23.6, 37.9, -37.9, 23.6],
				[23.6, -37.9, 37.9, -23.6, 0],
				[-23.6, 37.9, -37.9, 23.6, 0]
			]
        }
    },
	"6": {
        "tetrahedral, tetrahedral, tetrahedral, tetrahedral, tetrahedral, tetrahedral": {
            "common": [
				[-60, 60, -60, 60, -60, 60],
				[60, -60, 60, -60, 60, -60]
			],
			"uncommon": [
				[0, -60, 60, 0, -60, 60],
				[0, 60, -60, 0, 60, -60],
				[-60, 60, 0, -60, 60, 0],
				[60, -60, 0, 60, -60, 0],
				[60, 0, -60, 60, 0, -60],
				[-60, 0, 60, -60, 0, 60]
			]
        },
        "trigonal planar, trigonal planar, tetrahedral, tetrahedral, trigonal planar, trigonal planar": {
			"common": [
				[0, -35, 50, -35, 0, 20],
				[0, 35, -50, 35, 0, -20]
			]
        },
        "trigonal planar, trigonal planar, trigonal planar, tetrahedral, tetrahedral, tetrahedral": {
            "comment": "we need to do this type of ring backwards and forwards",
            "common": [
                [0, 24, -52, 56, -32, 4],
                [0, -24, 52, -56, 32, -4],
                [0, 4, -32, 56, -52, 24],
                [0, -4, 32, -56, 52, -24]
            ]
        }
    }
}