xplorPotTools |
index |
Tools to help manipulate and analyze XPLOR energy terms
Classes | ||||||||||||||||||
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Functions | ||
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Data | ||
defaultThresholds = {'ANGL': 2, 'BOND': 0.05, 'CARB': 1.0, 'CDIH': 5, 'COUP': 1.0, 'DIHE': 10, 'HBDA': 0.0, 'IMPR': 2, 'NOE': 0.5, 'VDW': 0.2, ...} |