## ionize.aa(): Contour plots of net charge and ionization properties of LYSC_CHICK library(CHNOSZ) aa <- pinfo(pinfo("LYSC_CHICK")) pH <- seq(0, 14, 0.2) T <- seq(0, 200, 2) val <- expand.grid(pH = pH, T = T) par(mfrow = c(2, 2)) for(X in c("Z", "A", "Cp", "V")) { Y <- ionize.aa(aa, property = X, pH = val$pH, T = val$T) contour(pH, T, matrix(Y[, 1], ncol = length(T)), xlab = "pH", ylab = axis.label("T")) title(main = axis.label(X)) } par(mfrow = c(1, 1)) pu <- par("usr") text(mean(pu[1:2]), sum(pu[3:4])*0.45, "additive properties of ionization of LYSC_CHICK")