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molstar

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A comprehensive macromolecular library.

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/** * Copyright (c) 2019 mol* contributors, licensed under MIT, See LICENSE file for more info. * * @author Sebastian Bittrich <sebastian.bittrich@rcsb.org> */ /** Chothia's amino acid and nucleotide atom vdw radii */ export const VdWLookup = [ -1.0, // 0: missing 1.76, // 1: trigonal C 1.87, // 2: tetrahedral C 1.65, // 3: trigonal N 1.50, // 4: tetrahedral N 1.40, // 5: O 1.85, // 6: S 1.80, // 7: C (nucleic) 1.60, // 8: N (nucleic) 1.40 // 9: P (nucleic) ]; // can still be appended on-the-fly for rare elements like selenium /** Maximum accessible surface area observed for amino acids. Taken from: http://dx.doi.org/10.1371/journal.pone.0080635 */ export const MaxAsa = { 'ALA': 121.0, 'ARG': 265.0, 'ASN': 187.0, 'ASP': 187.0, 'CYS': 148.0, 'GLU': 214.0, 'GLN': 214.0, 'GLY': 97.0, 'HIS': 216.0, 'ILE': 195.0, 'LEU': 191.0, 'LYS': 230.0, 'MET': 203.0, 'PHE': 228.0, 'PRO': 154.0, 'SER': 143.0, 'THR': 163.0, 'TRP': 264.0, 'TYR': 255.0, 'VAL': 165.0 }; export const DefaultMaxAsa = 121.0;