This repository contains the data and codes associated with the paper-Sequence Patterns and Signatures: Computational and Experimental Discovery of Amyloid forming peptides, submitted to PNAS Nexus.

The source codes are in /code/. Compiler such as gfortran or ifort is required

/code/-This directory contains the following files and directories:

1. main.f90-source code
2. /lib/-This directory contains the forcefield and rotamer parameters of all the 20 natural amino acids
3. comp.pdb-An example of the input PDB file needed to start the design
4. input.txt-Input file to start design
5. pdbfiles-This is an empty directory where the pdbfiles will be stored of the new peptides that are designed

/sequences and PDB files/-This directory contains the follwoing files:

1. case1-top150-potential-candidates- File containing the top 150 peptide sequences from Case 1
2. case2-top150-potential-candidates- File containing the top 150 peptide sequences from Case 2
3. Px.pdb files- Protein data bank files of peptides P1, P3, P4, P5, P6, P7, P8, P9, P10, P11, P12