peptide-tools

Overview

This repository serves as a meta-repo containing multiple sub-tools for computing physicochemical properties of synthetic peptides and proteins. Each tool can be used independently or through a master wrapper script.

Tools

1. pIChemiSt
   Calculates the isoelectric point of natural and modified peptides.

2. smi2scrambledfasta
   Generates scrambled FASTA sequences from SMILES input.

3. extn_coeff_fasta
   Computes peptide extinction coefficients.

4. molecular_descriptors
   Extracts a set of molecular descriptors for peptides.

5. liabilities
   Identifies chemical liabilities in sequences using SMARTS or FASTA.

6. peptide_tools_master
   Wrapper for running all tools on single compounds or batch submissions.