diff --git a/.Rhistory b/.Rhistory new file mode 100644 index 0000000..8dc0731 --- /dev/null +++ b/.Rhistory @@ -0,0 +1,512 @@ +g.fit <- lm(log(g.probs.clean)~log(g.breaks.clean)) +summary(g.fit) +alpha.LM <- coef(g.fit)[2] +lines(g.seq, g.seq^(-alpha.LM), col="#E66100", lty=3) +################# Max-Log-Likelihood ################# +n <- length(g.breaks.clean) +kmin <- g.breaks.clean[1] +alpha.ML <- 1 + n/sum(log(g.breaks.clean)/kmin) +alpha.ML +lines(g.seq, g.seq^(-alpha.ML), col="#D35FB7", lty=4) +# Homework 4 for the University of Tulsa' s CS-7863 Network Theory Course +# Degree Distribution +# Professor: Dr. McKinney, Spring 2022 +# Noah Schrick - 1492657 +library(igraph) +library(igraphdata) +data(yeast) +g <- yeast +g.netname <- "Yeast" +################# Set up Work ################# +g.vec <- degree(g) +g.hist <- hist(g.vec, freq=FALSE, main=paste("Histogram of the", g.netname, +" Network")) +legend("topright", c("Guess", "Poisson", "Least-Squares Fit", +"Max Log-Likelihood"), lty=c(1,2,3,4), col=c("#40B0A6", +"#006CD1", "#E66100", "#D35FB7")) +g.mean <- mean(g.vec) +g.seq <- 0:max(g.vec) # x-axis +################# Guessing Alpha ################# +alpha.guess <- 1.5 +lines(g.seq, g.seq^(-alpha.guess), col="#40B0A6", lty=1) +################# Poisson ################# +g.pois <- dpois(g.seq, g.mean, log=F) +lines(g.seq, g.pois, col="#006CD1", lty=2) +################# Linear model: Least-Squares Fit ################# +g.breaks <- g.hist$breaks[-c(1,2)] # remove 0 +g.probs <- g.hist$density[-1] # make lengths match +# Need to clean up probabilities that are 0 +nz.probs.mask <- g.probs!=0 +g.breaks.clean <- g.breaks[nz.probs.mask] +g.probs.clean <- g.breaks[nz.probs.mask] +#plot(log(g.breaks.clean), log(g.probs.clean)) +g.fit <- lm(log(g.probs.clean)~log(g.breaks.clean)) +summary(g.fit) +alpha.LM <- coef(g.fit)[2] +lines(g.seq, g.seq^(-alpha.LM), col="#E66100", lty=3) +################# Max-Log-Likelihood ################# +n <- length(g.breaks.clean) +kmin <- g.breaks.clean[1] +alpha.ML <- 1 + n/sum(log(g.breaks.clean)/kmin) +alpha.ML +lines(g.seq, g.seq^(-alpha.ML), col="#D35FB7", lty=4) +# Homework 4 for the University of Tulsa' s CS-7863 Network Theory Course +# Degree Distribution +# Professor: Dr. McKinney, Spring 2022 +# Noah Schrick - 1492657 +library(igraph) +library(igraphdata) +data(yeast) +g <- yeast +g.netname <- "Yeast" +################# Set up Work ################# +g.vec <- degree(g) +g.hist <- hist(g.vec, freq=FALSE, main=paste("Histogram of the", g.netname, +" Network")) +legend("topright", c("Guess", "Poisson", "Least-Squares Fit", +"Max Log-Likelihood"), lty=c(1,2,3,4), col=c("#40B0A6", +"#006CD1", "#E66100", "#D35FB7")) +g.mean <- mean(g.vec) +g.seq <- 0:max(g.vec) # x-axis +################# Guessing Alpha ################# +alpha.guess <- 1.5 +lines(g.seq, g.seq^(-alpha.guess), col="#40B0A6", lty=1) +################# Poisson ################# +g.pois <- dpois(g.seq, g.mean, log=F) +lines(g.seq, g.pois, col="#006CD1", lty=2) +################# Linear model: Least-Squares Fit ################# +g.breaks <- g.hist$breaks[-c(1,2,3)] # remove 0 +g.probs <- g.hist$density[-1] # make lengths match +# Need to clean up probabilities that are 0 +nz.probs.mask <- g.probs!=0 +g.breaks.clean <- g.breaks[nz.probs.mask] +g.probs.clean <- g.breaks[nz.probs.mask] +#plot(log(g.breaks.clean), log(g.probs.clean)) +g.fit <- lm(log(g.probs.clean)~log(g.breaks.clean)) +summary(g.fit) +alpha.LM <- coef(g.fit)[2] +lines(g.seq, g.seq^(-alpha.LM), col="#E66100", lty=3) +################# Max-Log-Likelihood ################# +n <- length(g.breaks.clean) +kmin <- g.breaks.clean[1] +alpha.ML <- 1 + n/sum(log(g.breaks.clean)/kmin) +alpha.ML +lines(g.seq, g.seq^(-alpha.ML), col="#D35FB7", lty=4) +# Homework 4 for the University of Tulsa' s CS-7863 Network Theory Course +# Degree Distribution +# Professor: Dr. McKinney, Spring 2022 +# Noah Schrick - 1492657 +library(igraph) +library(igraphdata) +data(yeast) +g <- yeast +g.netname <- "Yeast" +################# Set up Work ################# +g.vec <- degree(g) +g.hist <- hist(g.vec, freq=FALSE, main=paste("Histogram of the", g.netname, +" Network")) +legend("topright", c("Guess", "Poisson", "Least-Squares Fit", +"Max Log-Likelihood"), lty=c(1,2,3,4), col=c("#40B0A6", +"#006CD1", "#E66100", "#D35FB7")) +g.mean <- mean(g.vec) +g.seq <- 0:max(g.vec) # x-axis +################# Guessing Alpha ################# +alpha.guess <- 1.5 +lines(g.seq, g.seq^(-alpha.guess), col="#40B0A6", lty=1) +################# Poisson ################# +g.pois <- dpois(g.seq, g.mean, log=F) +lines(g.seq, g.pois, col="#006CD1", lty=2) +################# Linear model: Least-Squares Fit ################# +g.breaks <- g.hist$breaks[-c(1)] # remove 0 +g.probs <- g.hist$density[-1] # make lengths match +# Need to clean up probabilities that are 0 +nz.probs.mask <- g.probs!=0 +g.breaks.clean <- g.breaks[nz.probs.mask] +g.probs.clean <- g.breaks[nz.probs.mask] +#plot(log(g.breaks.clean), log(g.probs.clean)) +g.fit <- lm(log(g.probs.clean)~log(g.breaks.clean)) +summary(g.fit) +alpha.LM <- coef(g.fit)[2] +lines(g.seq, g.seq^(-alpha.LM), col="#E66100", lty=3) +################# Max-Log-Likelihood ################# +n <- length(g.breaks.clean) +kmin <- g.breaks.clean[1] +alpha.ML <- 1 + n/sum(log(g.breaks.clean)/kmin) +alpha.ML +lines(g.seq, g.seq^(-alpha.ML), col="#D35FB7", lty=4) +# Homework 4 for the University of Tulsa' s CS-7863 Network Theory Course +# Degree Distribution +# Professor: Dr. McKinney, Spring 2022 +# Noah Schrick - 1492657 +library(igraph) +library(igraphdata) +data(yeast) +g <- yeast +g.netname <- "Yeast" +################# Set up Work ################# +g.vec <- degree(g) +g.hist <- hist(g.vec, freq=FALSE, main=paste("Histogram of the", g.netname, +" Network")) +legend("topright", c("Guess", "Poisson", "Least-Squares Fit", +"Max Log-Likelihood"), lty=c(1,2,3,4), col=c("#40B0A6", +"#006CD1", "#E66100", "#D35FB7")) +g.mean <- mean(g.vec) +g.seq <- 0:max(g.vec) # x-axis +################# Guessing Alpha ################# +alpha.guess <- 1.5 +lines(g.seq, g.seq^(-alpha.guess), col="#40B0A6", lty=1) +################# Poisson ################# +g.pois <- dpois(g.seq, g.mean, log=F) +lines(g.seq, g.pois, col="#006CD1", lty=2) +################# Linear model: Least-Squares Fit ################# +#g.breaks <- g.hist$breaks[-c(1)] # remove 0 +g.breaks <- g.hist$breaks # remove 0 +g.probs <- g.hist$density[-1] # make lengths match +# Need to clean up probabilities that are 0 +nz.probs.mask <- g.probs!=0 +g.breaks.clean <- g.breaks[nz.probs.mask] +g.probs.clean <- g.breaks[nz.probs.mask] +#plot(log(g.breaks.clean), log(g.probs.clean)) +g.fit <- lm(log(g.probs.clean)~log(g.breaks.clean)) +summary(g.fit) +alpha.LM <- coef(g.fit)[2] +lines(g.seq, g.seq^(-alpha.LM), col="#E66100", lty=3) +################# Max-Log-Likelihood ################# +n <- length(g.breaks.clean) +kmin <- g.breaks.clean[1] +alpha.ML <- 1 + n/sum(log(g.breaks.clean)/kmin) +alpha.ML +lines(g.seq, g.seq^(-alpha.ML), col="#D35FB7", lty=4) +# Homework 4 for the University of Tulsa' s CS-7863 Network Theory Course +# Degree Distribution +# Professor: Dr. McKinney, Spring 2022 +# Noah Schrick - 1492657 +library(igraph) +library(igraphdata) +data(yeast) +g <- yeast +g.netname <- "Yeast" +################# Set up Work ################# +g.vec <- degree(g) +g.hist <- hist(g.vec, freq=FALSE, main=paste("Histogram of the", g.netname, +" Network")) +legend("topright", c("Guess", "Poisson", "Least-Squares Fit", +"Max Log-Likelihood"), lty=c(1,2,3,4), col=c("#40B0A6", +"#006CD1", "#E66100", "#D35FB7")) +g.mean <- mean(g.vec) +g.seq <- 0:max(g.vec) # x-axis +################# Guessing Alpha ################# +alpha.guess <- 1.5 +lines(g.seq, g.seq^(-alpha.guess), col="#40B0A6", lty=1) +################# Poisson ################# +g.pois <- dpois(g.seq, g.mean, log=F) +lines(g.seq, g.pois, col="#006CD1", lty=2) +################# Linear model: Least-Squares Fit ################# +g.breaks <- g.hist$breaks[-c(1)] # remove 0 +g.probs <- g.hist$density[-1] # make lengths match +# Need to clean up probabilities that are 0 +nz.probs.mask <- g.probs!=0 +g.breaks.clean <- g.breaks[nz.probs.mask] +g.probs.clean <- g.probs[nz.probs.mask] +#plot(log(g.breaks.clean), log(g.probs.clean)) +g.fit <- lm(log(g.probs.clean)~log(g.breaks.clean)) +summary(g.fit) +alpha.LM <- coef(g.fit)[2] +lines(g.seq, g.seq^(-alpha.LM), col="#E66100", lty=3) +################# Max-Log-Likelihood ################# +n <- length(g.breaks.clean) +kmin <- g.breaks.clean[1] +alpha.ML <- 1 + n/sum(log(g.breaks.clean)/kmin) +alpha.ML +lines(g.seq, g.seq^(-alpha.ML), col="#D35FB7", lty=4) +alpha.LM +# Homework 4 for the University of Tulsa' s CS-7863 Network Theory Course +# Degree Distribution +# Professor: Dr. McKinney, Spring 2022 +# Noah Schrick - 1492657 +library(igraph) +library(igraphdata) +data(yeast) +g <- yeast +g.netname <- "Yeast" +################# Set up Work ################# +g.vec <- degree(g) +g.hist <- hist(g.vec, freq=FALSE, main=paste("Histogram of the", g.netname, +" Network")) +legend("topright", c("Guess", "Poisson", "Least-Squares Fit", +"Max Log-Likelihood"), lty=c(1,2,3,4), col=c("#40B0A6", +"#006CD1", "#E66100", "#D35FB7")) +g.mean <- mean(g.vec) +g.seq <- 0:max(g.vec) # x-axis +################# Guessing Alpha ################# +alpha.guess <- 1.5 +lines(g.seq, g.seq^(-alpha.guess), col="#40B0A6", lty=1) +################# Poisson ################# +g.pois <- dpois(g.seq, g.mean, log=F) +lines(g.seq, g.pois, col="#006CD1", lty=2) +################# Linear model: Least-Squares Fit ################# +g.breaks <- g.hist$breaks[-c(1)] # remove 0 +g.probs <- g.hist$density[-1] # make lengths match +# Need to clean up probabilities that are 0 +nz.probs.mask <- g.probs!=0 +g.breaks.clean <- g.breaks[nz.probs.mask] +g.probs.clean <- g.probs[nz.probs.mask] +#plot(log(g.breaks.clean), log(g.probs.clean)) +g.fit <- lm(log(g.probs.clean)~log(g.breaks.clean)) +summary(g.fit) +alpha.LM <- coef(g.fit)[2] +lines(g.seq, g.seq^(-alpha.LM), col="#E66100", lty=3) +################# Max-Log-Likelihood ################# +n <- length(g.breaks.clean) +kmin <- g.breaks.clean[1] +alpha.ML <- 1 + n/sum(log(g.breaks.clean/kmin)) +alpha.ML +lines(g.seq, g.seq^(-alpha.ML), col="#D35FB7", lty=4) +# Homework 4 for the University of Tulsa' s CS-7863 Network Theory Course +# Degree Distribution +# Professor: Dr. McKinney, Spring 2022 +# Noah Schrick - 1492657 +library(igraph) +library(igraphdata) +data(yeast) +g <- yeast +g.netname <- "Yeast" +################# Set up Work ################# +g.vec <- degree(g) +g.hist <- hist(g.vec, freq=FALSE, main=paste("Histogram of the", g.netname, +" Network")) +legend("topright", c("Guess", "Poisson", "Least-Squares Fit", +"Max Log-Likelihood"), lty=c(1,2,3,4), col=c("#40B0A6", +"#006CD1", "#E66100", "#D35FB7")) +g.mean <- mean(g.vec) +g.seq <- 0:max(g.vec) # x-axis +################# Guessing Alpha ################# +alpha.guess <- 1.5 +lines(g.seq, g.seq^(-alpha.guess), col="#40B0A6", lty=1, lwd=5) +################# Poisson ################# +g.pois <- dpois(g.seq, g.mean, log=F) +lines(g.seq, g.pois, col="#006CD1", lty=2) +################# Linear model: Least-Squares Fit ################# +g.breaks <- g.hist$breaks[-c(1)] # remove 0 +g.probs <- g.hist$density[-1] # make lengths match +# Need to clean up probabilities that are 0 +nz.probs.mask <- g.probs!=0 +g.breaks.clean <- g.breaks[nz.probs.mask] +g.probs.clean <- g.probs[nz.probs.mask] +#plot(log(g.breaks.clean), log(g.probs.clean)) +g.fit <- lm(log(g.probs.clean)~log(g.breaks.clean)) +summary(g.fit) +alpha.LM <- coef(g.fit)[2] +lines(g.seq, g.seq^(-alpha.LM), col="#E66100", lty=3) +################# Max-Log-Likelihood ################# +n <- length(g.breaks.clean) +kmin <- g.breaks.clean[1] +alpha.ML <- 1 + n/sum(log(g.breaks.clean/kmin)) +alpha.ML +lines(g.seq, g.seq^(-alpha.ML), col="#D35FB7", lty=4) +# Homework 4 for the University of Tulsa' s CS-7863 Network Theory Course +# Degree Distribution +# Professor: Dr. McKinney, Spring 2022 +# Noah Schrick - 1492657 +library(igraph) +library(igraphdata) +data(yeast) +g <- yeast +g.netname <- "Yeast" +################# Set up Work ################# +g.vec <- degree(g) +g.hist <- hist(g.vec, freq=FALSE, main=paste("Histogram of the", g.netname, +" Network")) +legend("topright", c("Guess", "Poisson", "Least-Squares Fit", +"Max Log-Likelihood"), lty=c(1,2,3,4), col=c("#40B0A6", +"#006CD1", "#E66100", "#D35FB7")) +g.mean <- mean(g.vec) +g.seq <- 0:max(g.vec) # x-axis +################# Guessing Alpha ################# +alpha.guess <- 1.5 +lines(g.seq, g.seq^(-alpha.guess), col="#40B0A6", lty=1, lwd=3) +################# Poisson ################# +g.pois <- dpois(g.seq, g.mean, log=F) +lines(g.seq, g.pois, col="#006CD1", lty=2) +################# Linear model: Least-Squares Fit ################# +g.breaks <- g.hist$breaks[-c(1)] # remove 0 +g.probs <- g.hist$density[-1] # make lengths match +# Need to clean up probabilities that are 0 +nz.probs.mask <- g.probs!=0 +g.breaks.clean <- g.breaks[nz.probs.mask] +g.probs.clean <- g.probs[nz.probs.mask] +#plot(log(g.breaks.clean), log(g.probs.clean)) +g.fit <- lm(log(g.probs.clean)~log(g.breaks.clean)) +summary(g.fit) +alpha.LM <- coef(g.fit)[2] +lines(g.seq, g.seq^(-alpha.LM), col="#E66100", lty=3) +################# Max-Log-Likelihood ################# +n <- length(g.breaks.clean) +kmin <- g.breaks.clean[1] +alpha.ML <- 1 + n/sum(log(g.breaks.clean/kmin)) +alpha.ML +lines(g.seq, g.seq^(-alpha.ML), col="#D35FB7", lty=4) +# Homework 4 for the University of Tulsa' s CS-7863 Network Theory Course +# Degree Distribution +# Professor: Dr. McKinney, Spring 2022 +# Noah Schrick - 1492657 +library(igraph) +library(igraphdata) +data(yeast) +g <- yeast +g.netname <- "Yeast" +################# Set up Work ################# +g.vec <- degree(g) +g.hist <- hist(g.vec, freq=FALSE, main=paste("Histogram of the", g.netname, +" Network")) +legend("topright", c("Guess", "Poisson", "Least-Squares Fit", +"Max Log-Likelihood"), lty=c(1,2,3,4), col=c("#40B0A6", +"#006CD1", "#E66100", "#D35FB7")) +g.mean <- mean(g.vec) +g.seq <- 0:max(g.vec) # x-axis +################# Guessing Alpha ################# +alpha.guess <- 1.5 +lines(g.seq, g.seq^(-alpha.guess), col="#40B0A6", lty=1, lwd=3) +################# Poisson ################# +g.pois <- dpois(g.seq, g.mean, log=F) +lines(g.seq, g.pois, col="#006CD1", lty=2, lwd=3) +################# Linear model: Least-Squares Fit ################# +g.breaks <- g.hist$breaks[-c(1)] # remove 0 +g.probs <- g.hist$density[-1] # make lengths match +# Need to clean up probabilities that are 0 +nz.probs.mask <- g.probs!=0 +g.breaks.clean <- g.breaks[nz.probs.mask] +g.probs.clean <- g.probs[nz.probs.mask] +#plot(log(g.breaks.clean), log(g.probs.clean)) +g.fit <- lm(log(g.probs.clean)~log(g.breaks.clean)) +summary(g.fit) +alpha.LM <- coef(g.fit)[2] +lines(g.seq, g.seq^(-alpha.LM), col="#E66100", lty=3, lwd=3) +################# Max-Log-Likelihood ################# +n <- length(g.breaks.clean) +kmin <- g.breaks.clean[1] +alpha.ML <- 1 + n/sum(log(g.breaks.clean/kmin)) +alpha.ML +lines(g.seq, g.seq^(-alpha.ML), col="#D35FB7", lty=4, lwd=3) +plot(yeast) +hist(yeast) +hist(g.vec) +g.pois +g.mean +alpha.LM +alpha.ML +degree(g) +sort(degree(g)) +sort(degree(g),decreasing=FALSE) +sort(degree(g),decreasing=F) +sort(degree(g),decreasing=false) +sort(degree(g), decreasing = TRUE) +head(sort(degree(g), decreasing = TRUE)) +stddev(degree(g)) +sd(degree(g)) +tail(sort(degree(g), decreasing = TRUE)) +plot(log(g.breaks.clean), log(g.probs.clean)) +# Homework 4 for the University of Tulsa' s CS-7863 Network Theory Course +# Degree Distribution +# Professor: Dr. McKinney, Spring 2022 +# Noah Schrick - 1492657 +library(igraph) +library(igraphdata) +data(yeast) +g <- yeast +g.netname <- "Yeast" +################# Set up Work ################# +g.vec <- degree(g) +g.hist <- hist(g.vec, freq=FALSE, main=paste("Histogram of the", g.netname, +" Network")) +legend("topright", c("Guess", "Poisson", "Least-Squares Fit", +"Max Log-Likelihood"), lty=c(1,2,3,4), col=c("#40B0A6", +"#006CD1", "#E66100", "#D35FB7")) +g.mean <- mean(g.vec) +g.seq <- 0:max(g.vec) # x-axis +################# Guessing Alpha ################# +alpha.guess <- 1.5 +lines(g.seq, g.seq^(-alpha.guess), col="#40B0A6", lty=1, lwd=3) +################# Poisson ################# +g.pois <- dpois(g.seq, g.mean, log=F) +lines(g.seq, g.pois, col="#006CD1", lty=2, lwd=3) +################# Linear model: Least-Squares Fit ################# +g.breaks <- g.hist$breaks[-c(1)] # remove 0 +g.probs <- g.hist$density[-1] # make lengths match +# Need to clean up probabilities that are 0 +nz.probs.mask <- g.probs!=0 +g.breaks.clean <- g.breaks[nz.probs.mask] +g.probs.clean <- g.probs[nz.probs.mask] +plot(log(g.breaks.clean), log(g.probs.clean)) +g.fit <- lm(log(g.probs.clean)~log(g.breaks.clean)) +summary(g.fit) +alpha.LM <- coef(g.fit)[2] +lines(g.seq, g.seq^(-alpha.LM), col="#E66100", lty=3, lwd=3) +################# Max-Log-Likelihood ################# +n <- length(g.breaks.clean) +kmin <- g.breaks.clean[1] +alpha.ML <- 1 + n/sum(log(g.breaks.clean/kmin)) +alpha.ML +lines(g.seq, g.seq^(-alpha.ML), col="#D35FB7", lty=4, lwd=3) +plot(log(g.breaks.clean), log(g.probs.clean)) +g.breaks.clean <- g.breaks[nz.probs.mask] +g.probs.clean <- g.probs[nz.probs.mask] +plot(log(g.breaks.clean), log(g.probs.clean)) +# Lab 7 for the University of Tulsa's CS-6643 Bioinformatics Course +# PDB +# Professor: Dr. McKinney, Fall 2022 +# Noah L. Schrick - 1492657 +## Set Working Directory to file directory - RStudio approach +setwd(dirname(rstudioapi::getActiveDocumentContext()$path)) +#### Part A: Obtaining PDB - no supporting R Code +#### Part B: Visualize the 3D structure +## Install Rpdb and load the pdb +if (!require("Rpdb")) install.packages("Rpdb") +library(Rpdb) +x<-read.pdb("1TGH.pdb") +## Visualize the B and C chains +B_chain_pdb <- subset(x$atoms, x$atoms$chainid=="B") +# Lab 7 for the University of Tulsa's CS-6643 Bioinformatics Course +# PDB +# Professor: Dr. McKinney, Fall 2022 +# Noah L. Schrick - 1492657 +## Set Working Directory to file directory - RStudio approach +setwd(dirname(rstudioapi::getActiveDocumentContext()$path)) +#### Part A: Obtaining PDB - no supporting R Code +#### Part B: Visualize the 3D structure +## Install Rpdb and load the pdb +if (!require("Rpdb")) install.packages("Rpdb") +library(Rpdb) +x<-read.pdb("1TGH.pdb") +natom(x) +visualize(x,type="l") +## Visualize the B and C chains +B_chain_pdb <- subset(x$atoms, x$atoms$chainid=="B") +C_chain_pdb <- subset(x$atoms, x$atoms$chainid=="C") +# remove water: +C_chain_pdb <- subset(C_chain_pdb,C_chain_pdb$resname!="HOH") +# visualize chains B and C +BC_chains_pdb <- subset(x$atoms, x$atoms$chainid=="B" | x$atoms$chainid=="C") +color.vec <- c(rep("red",natom(B_chain_pdb)),rep("green",natom(C_chain_pdb))) +visualize(BC_chains_pdb,col=color.vec) +addResLab(BC_chains_pdb) +rgl.postscript("BC_chains.pdf","pdf",drawText=TRUE) +## Visualize B-C and A Chains +A_chain_pdb <- subset(x$atoms, x$atoms$chainid=="A") +# remove water +A_chain_pdb <- subset(A_chain_pdb, A_chain_pdb$resname!="HOH") +# visualize complex complex +BCA_chains_pdb <- subset(x$atoms, x$atoms$chainid=="B" | +x$atoms$chainid=="C" | x$atoms$chainid=="A") +BCA.color.vec <- c(rep("red",natom(B_chain_pdb)),rep("green",natom(C_chain_pdb)),rep("blue",natom(A_chain_pdb))) +visualize(BCA_chains_pdb,col=BCA.color.vec) +rgl.postscript("full_complex.pdf","pdf",drawText=TRUE) +# get coordinates of C1' atoms of the C-chain DNA molecule +C_chain_pdb$resname +C_chain_resids<-unique(C_chain_pdb$resid) +C_chain_C1prime <- subset(C_chain_pdb, C_chain_pdb$elename=="C1'") +# get chain C DNA sequence +C_chain_sequence_messy <- C_chain_C1prime$resname +C_chain_sequence <- paste(sapply(C_chain_sequence_messy,function(x) {unlist(strsplit(x,""))[2]}),collapse = "") +C_chain_sequence_messy +C_chain_sequence diff --git a/.~lock.pdb_lab.docx# b/.~lock.pdb_lab.docx# index 5d5481f..da76d13 100644 --- a/.~lock.pdb_lab.docx# +++ b/.~lock.pdb_lab.docx# @@ -1 +1 @@ -,noah,NovaArchSys,27.10.2022 13:09,file:///home/noah/.config/libreoffice/4; \ No newline at end of file +,noah,NovaArchSys,27.10.2022 15:21,file:///home/noah/.config/libreoffice/4; \ No newline at end of file diff --git a/Schrick-Noah_CS-6643_Lab7.R b/Schrick-Noah_CS-6643_Lab7.R index 3319e00..13b914c 100644 --- a/Schrick-Noah_CS-6643_Lab7.R +++ b/Schrick-Noah_CS-6643_Lab7.R @@ -40,3 +40,24 @@ BCA_chains_pdb <- subset(x$atoms, x$atoms$chainid=="B" | BCA.color.vec <- c(rep("red",natom(B_chain_pdb)),rep("green",natom(C_chain_pdb)),rep("blue",natom(A_chain_pdb))) visualize(BCA_chains_pdb,col=BCA.color.vec) + +#### Part C: Primary structure and DNA Palindromes +# get coordinates of C1' atoms of the C-chain DNA molecule +C_chain_pdb$resname +C_chain_resids<-unique(C_chain_pdb$resid) +C_chain_C1prime <- subset(C_chain_pdb, C_chain_pdb$elename=="C1'") + +# get chain C DNA sequence +C_chain_sequence_messy <- C_chain_C1prime$resname +C_chain_sequence <- paste(sapply(C_chain_sequence_messy,function(x) {unlist(strsplit(x,""))[2]}),collapse = "") + +## Find palindromes +if (!require("BiocManager")) install.packages("BiocManager") +library(BiocManager) +if (!require("Biostrings")) BiocManager::install("Biostrings") +library(snpStats) + +C_chain_DNAString <- DNAString(C_chain_sequence) +dna.pals <- findPalindromes(C_chain_DNAString, min.armlength=3, + max.looplength=5, max.mismatch = 0) + diff --git a/pdb_lab.docx b/pdb_lab.docx index 193bbdc..048bfb3 100644 Binary files a/pdb_lab.docx and b/pdb_lab.docx differ