Safe Haskell | None |
---|---|
Language | Haskell2010 |
Documentation
Record representing single chemical shift.
extractChemShifts :: STAR -> [ChemShift] Source
Extracts chemical shift list from a STAR file contents.
parse :: [Char] -> IO (Either [Char] [ChemShift]) Source
Parse NMR-STAR file and and return either error message, or list of chemical shifts.
extractSequenceFromChemShifts Source
:: [ChemShift] | list of chemical shift records |
-> [(Int, [Char])] | list of chain numbers with their FASTA sequences |
Extracts FASTA sequence from a list of chemical shift records.