Enumerations | |
| enum | index_t { UNKNOWN = -1, H, HC, HA, HT, HP, HB, HR1, HR2, HR3, HS, HE1, HE2, C, CA, CT1, CT2, CT3, CPH1, CPH2, CPT, CY, CP1, CP2, CP3, CC, CD, CPA, CPB, CPM, CM, CS, CE1, CE2, N, NR1, NR2, NR3, NH1, NH2, NH3, NC2, NY, NP, NPH, O, OB, OC, OH1, OS, OT, OM, S, SM, SS, HE, NE, CAL, ZN, FE, DUM, HN1, HN2, HN3, HN3B, HN3C, HNP, HN4, HN5, HN6, HN7, HN8, HN9, HNE1, HNE2, CN1, CN1A, CN1T, CN2, CN3, CN3A, CN3B, CN3C, CN3D, CN3T, CN4, CN5, CN5G, CN7, CN7B, CN7C, CN7D, CN8, CN8B, CN9, CNE1, CNE2, CNA, CNA2, NN1, NN1C, NN2, NN2B, NN2C, NN2U, NN2G, NN3, NN3A, NN3I, NN3G, NN4, NN5, NN6, ON1, ON1C, ON2, ON3, ON4, ON5, ON6, ON6B, ON2b, FN1, FNA, P, P2, SOD, MG, POT, CES, CLA, SIZE } |
Functions | |
| index_t | btk_atom_index_to_charmm_index (GROUP::index_t g, ATOM::index_t a) |
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1.3.6