AA Distribution

AA Distribution shows the distribution of different amino acids in the peptide.

Click here to download AA Distribution code.

Click here to download example input data.


Running AA Distribution

Before using AA Distribution, make sure that you have the R language and the R packages Peptides, doParallel, entropy, dplyr, readxl, stringr installed on your computer. If not, after installing R, run the following commands to install the dependencies in R respectively.

Install R Packages

`install.packages("doParallel")`
`install.packages("Peptides")`
`install.packages("dplyr")`
`install.packages("stringr")`
`install.packages("readxl")`
`install.packages("entropy")`


Run AA Distribution

Creat a working directory, e.g., ./working
Unzip the downloaded file in the working directory
Run AA Distribution:
path-to-Rscript AA_calculate.R -i <Input file(csv)> -o <Working directory>

Parameters:

-i: A csv file with two columns. The first column is the sequence of neoantigen's WT Peptide, while the second column is the sequence of neoantigen's Mutant Peptide. Now only neoantigens with nine peptides and one site-specific mutation are supported for calculation. You can download the example data by clicking on the link above.
-o: Working directory. The folder's path which you put the unziped files in, and where the output files will be located.

Example:

/usr/bin/Rscript AA_calculate.R -i example.csv -o /feature_calculate/

Citation:

van Westen, G.J., R.F. Swier, J.K. Wegner, A.P. Ijzerman, et al., Benchmarking of protein descriptor sets in proteochemometric modeling (part 1): comparative study of 13 amino acid descriptor sets. J Cheminform, 2013. 5(1): 41.
van Westen, G.J., R.F. Swier, I. Cortes-Ciriano, J.K. Wegner, et al., Benchmarking of protein descriptor sets in proteochemometric modeling (part 2): modeling performance of 13 amino acid descriptor sets. J Cheminform, 2013. 5(1): 42.