Searched refs:sidechain_charge (Results 1 – 1 of 1) sorted by relevance
1143 int sidechain_charge = 0; in CheckProtonation() local1146 sidechain_charge = (pstate[n2] & PSTATE_CHARGE_mask); in CheckProtonation()1147 if (pstate[n2] & PSTATE_SIGN_NEGATIVE) sidechain_charge = -sidechain_charge; in CheckProtonation()1169 sidechain_charge -= 1; in CheckProtonation()1210 sidechain_charge += 1; in CheckProtonation()1259 switch (sidechain_charge) in CheckProtonation()1265 …msg << "bad charge : " << sidechain_charge << " is out of valid range for residue D (" << n1 << "/… in CheckProtonation()1306 switch (sidechain_charge) in CheckProtonation()1351 switch (sidechain_charge) in CheckProtonation()1406 switch (sidechain_charge) in CheckProtonation()[all …]