T-scale

T-scale is derived from principal component analysis (PCA) on the collected 67 kinds of structural and topological variables of 135 amino acids.

Click here to download T-scale code.

Click here to download example input data.


Running T-scale

Before using T-scale, 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 T-scale

Creat a working directory, e.g., ./working
Unzip the downloaded file in the working directory
Run T-scale:
path-to-Rscript tscale_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 tscale_calculate.R -i example.csv -o /feature_calculate/

Citation:

Tian F, Zhou P, Li Z: T-scale as a novel vector of topological descriptors for amino acids and its application in QSARs of peptides. J Mol Struct. 2007, 830: 106-115. 10.1016/j.molstruc.2006.07.004.