X-Git-Url: https://git.donarmstrong.com/?a=blobdiff_plain;f=kinetic_formalism.Rnw;h=fccc4af7c3a6eb4be8a85ab899b553b8453d4e8c;hb=4ac6dcb5960639dce3d89699983f55a90e022636;hp=8c4fe20aa35bfef2f0d1c0f6c29065e9e450d675;hpb=a58f8a92449aa803bf4396ae5f62f463ab1caf9c;p=ool%2Flipid_simulation_formalism.git diff --git a/kinetic_formalism.Rnw b/kinetic_formalism.Rnw index 8c4fe20..fccc4af 100644 --- a/kinetic_formalism.Rnw +++ b/kinetic_formalism.Rnw @@ -59,11 +59,19 @@ \begin{document} %\maketitle -<>= -require(lattice) -require(grid) -require(Hmisc) -require(gridBase) +<>= +require("lattice") +require("grid") +require("Hmisc") +require("gridBase") +opts_chunk$set(dev="cairo_pdf", + out.width="0.8\\textwidth", + out.height="0.8\\textheight", + out.extra="keepaspectratio") +opts_chunk$set(cache=TRUE, autodep=TRUE) +options(device = function(file, width = 6, height = 6, ...) { + cairo_pdf(tempfile(), width = width, height = height, ...) + }) to.latex <- function(x){ gsub("\\\\","\\\\\\\\",latexSN(x)) } @@ -162,14 +170,13 @@ affect the rate of the insertion positively or negatively, so we do not include a term for it in this formalism. -\setkeys{Gin}{width=3.2in} -<>= +<>= curve(2^x,from=0,to=sd(c(0,4)), main="Unsaturation Forward", xlab="Standard Deviation of Unsaturation of Vesicle", ylab="Unsaturation Forward Adjustment") @ -<>= +<>= curve(to.kcal(2^x),from=0,to=sd(c(0,4)), main="Unsaturation forward", xlab="Standard Deviation of Unsaturation of Vesicle", @@ -205,7 +212,7 @@ a range of $\Delta \Delta G^\ddagger$ from $\Sexpr{format(digits=3,to.kcal(60^(-.165*-1)))} \frac{\mathrm{kcal}}{\mathrm{mol}}$ to $0\frac{\mathrm{kcal}}{\mathrm{mol}}$. -<>= +<>= x <- seq(-1,0,length.out=20) y <- seq(-1,0,length.out=20) grid <- expand.grid(x=x,y=y) @@ -219,7 +226,7 @@ print(wireframe(z~x*y,grid,cuts=50, zlab=list("Charge Forward",rot=93))) rm(x,y,grid) @ -<>= +<>= x <- seq(-1,0,length.out=20) y <- seq(-1,0,length.out=20) grid <- expand.grid(x=x,y=y) @@ -276,9 +283,9 @@ of $\Sexpr{format(digits=3,to.kcal(10^(0.13*0.213)))} relatively matched curvatures in our environment. % 1.5 to 0.75 3 to 0.33 -<>= +<>= grid <- expand.grid(x=seq(0,max(c(sd(abs(log(c(1,3)))), -y sd(abs(log(c(1,0.33)))),sd(abs(log(c(0.33,3)))))),length.out=20), + sd(abs(log(c(1,0.33)))),sd(abs(log(c(0.33,3)))))),length.out=20), y=seq(0,max(c(mean(log(c(1,3)), mean(log(c(1,0.33))), mean(log(c(0.33,3)))))),length.out=20)) @@ -291,7 +298,7 @@ print(wireframe(z~x*y,grid,cuts=50, zlab=list("Vesicle Curvature Forward",rot=93))) rm(grid) @ -<>= +<>= grid <- expand.grid(x=seq(0,max(c(sd(abs(log(c(1,3)))), sd(abs(log(c(1,0.33)))),sd(abs(log(c(0.33,3)))))),length.out=20), y=seq(0,max(c(mean(log(c(1,3)), @@ -362,13 +369,13 @@ From Nichols85: The association rate constant is independent of acyl chain length. {take into account for the formula; rz 8/17/2010}. -<>= +<>= curve(2^x,from=0,to=sd(c(12,24)), main="Length forward", xlab="Standard Deviation of Length of Vesicle", ylab="Length Forward Adjustment") @ -<>= +<>= curve(to.kcal(2^x),from=0,to=sd(c(12,24)), main="Length forward", xlab="Standard Deviation of Length of Vesicle", @@ -430,7 +437,7 @@ $\Sexpr{format(digits=3,to.kcal(7^(1-1/(5*(2^-1.7-2^-4)^2+1))))}\frac{\mathrm{kc for monomers with 4 unsaturations. -<>= +<>= grid <- expand.grid(x=seq(0,4,length.out=20), y=seq(0,4,length.out=20)) grid$z <- (7^(1-1/(5*(2^-grid$x-2^-grid$y)^2+1))) @@ -442,7 +449,7 @@ print(wireframe(z~x*y,grid,cuts=50, zlab=list("Unsaturation Backward",rot=93))) rm(grid) @ -<>= +<>= grid <- expand.grid(x=seq(0,4,length.out=20), y=seq(0,4,length.out=20)) grid$z <- to.kcal((7^(1-1/(5*(2^-grid$x-2^-grid$y)^2+1)))) @@ -477,7 +484,7 @@ $0\frac{\mathrm{kcal}}{\mathrm{mol}}$ for monomers with charge $0$. -<>= +<>= x <- seq(-1,0,length.out=20) y <- seq(-1,0,length.out=20) grid <- expand.grid(x=x,y=y) @@ -490,7 +497,7 @@ print(wireframe(z~x*y,grid,cuts=50, zlab=list("Charge Backwards",rot=93))) rm(x,y,grid) @ -<>= +<>= x <- seq(-1,0,length.out=20) y <- seq(-1,0,length.out=20) grid <- expand.grid(x=x,y=y) @@ -534,7 +541,7 @@ $\Sexpr{format(digits=3,to.kcal(7^(1-1/(20*(-0.013-log(1.3))^2+1))))}\frac{\math for monomers with curvature 1.3 to $0\frac{\mathrm{kcal}}{\mathrm{mol}}$ for monomers with curvature near 1. -<>= +<>= grid <- expand.grid(x=seq(0.8,1.33,length.out=20), y=seq(0.8,1.33,length.out=20)) grid$z <- 7^(1-1/(20*(log(grid$x)-log(grid$y))^2+1)) @@ -546,7 +553,7 @@ print(wireframe(z~x*y,grid,cuts=50, zlab=list("Curvature Backward",rot=93))) rm(grid) @ -<>= +<>= grid <- expand.grid(x=seq(0.8,1.33,length.out=20), y=seq(0.8,1.33,length.out=20)) grid$z <- to.kcal(7^(1-1/(20*(log(grid$x)-log(grid$y))^2+1))) @@ -585,7 +592,7 @@ $\Sexpr{format(digits=3,to.kcal(3.2^abs(24-17.75)))}\frac{\mathrm{kcal}}{\mathrm for monomers with length 24 to $0\frac{\mathrm{kcal}}{\mathrm{mol}}$ for monomers with curvature near 18. -<>= +<>= grid <- expand.grid(x=seq(12,24,length.out=20), y=seq(12,24,length.out=20)) grid$z <- 3.2^(abs(grid$x-grid$y)) @@ -597,7 +604,7 @@ print(wireframe(z~x*y,grid,cuts=50, zlab=list("Length Backward",rot=93))) rm(grid) @ -<>= +<>= grid <- expand.grid(x=seq(12,24,length.out=20), y=seq(12,24,length.out=20)) grid$z <- to.kcal(3.2^(abs(grid$x-grid$y))) @@ -646,7 +653,7 @@ $0\frac{\mathrm{kcal}}{\mathrm{mol}}$ for monomers with complex formation $0$. -<>= +<>= grid <- expand.grid(x=seq(-1,3,length.out=20), y=seq(-1,3,length.out=20)) grid$z <- 1.5^(grid$x*grid$y-abs(grid$x*grid$y)) @@ -658,7 +665,7 @@ print(wireframe(z~x*y,grid,cuts=50, zlab=list("Complex Formation Backward",rot=93))) rm(grid) @ -<>= +<>= grid <- expand.grid(x=seq(-1,3,length.out=20), y=seq(-1,3,length.out=20)) grid$z <- to.kcal(1.5^(grid$x*grid$y-abs(grid$x*grid$y)))