peptide-tools-refactor

OVERVIEW Set of programs to calcaulte phys-chem properties of synthetic peptides and proteins: isoelectic point and extinction coefficients. In total there are 5 scripts/programs there, each can serve as stand alone:

1) pIChemiSt  
program to calcualte isoelectric point of natural and modified peptides. 

2) smi2scrambledfasta  (depends on 1)
program to generate the scrambled FASTA sequence from Smiles.

3) pI_fasta  (depends on 2)
program to calcualte isoelecric point using FASTA sequence as an input.

4) extn_coeff_fasta  (depends on 2)
program to calculate extinction coefficients.

5) peptide_tools_master  (depends on 1,2,3,4)
wrapper script for all the programs above. Can run for one compound and for batch submissions.

HOW TO RUN & DEPENDENCIES

Check the documentaion for each script. 

PLATFORM

Tested on linux CentOS