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