Created by Alex Lathbridge and Jody Mason
The Mason Laboratory, University of Bath

Please cite the following paper when using this software:

Lathbridge, A and Mason J.M. Computational Competitive and Negative Design to Derive a Specific cJun Antagonist. Biochemistry (In Press).
DOI: 10.1021/acs.biochem.8b00782


README
1. Setting up

isCAN allows you to simulate the CANDI assay using the bCIPA algorithm.
This will allow you to identify a list of potential winner peptides from a library.

When doing any work with this software, make sure that:
- The register is correct (a-g)
- The sequences are ALL length matched (otherwise the software will crash without explanation).

Please enter your target peptide in the folder "Targets". This has to be a one line txt file (letters only, no spaces or breaks).

Please enter your competitor sequences in the folder "Competitors". This has to be a txt file. You can have as many competitors as you like but they have to be in FASTA format.

Please enter your library within the folder "Libraries". This has to be a multiline txt file without spaces or blank lines.

2 Running the software.

When starting the software, it may take a moment to load.
Start by entering your heptad starting position a-g.
Enter the text file names containing your target, competitors and library (with the file suffix -.txt- without "")

The delta value is the difference between desired complex Tm (library with target) and the undesired complexes Tm values.

Enter your project name and press enter.

The software will now run.

At the end, it will give you a breakdown of the successful and unsuccessful peptides in your library.

Your successful library will be in the "CANDI output" folder.