transform .........\transform .........\.........\amine.trs .........\.........\cysteine.trs .........\.........\du_pipeio.c .........\.........\du_pipeio.h .........\.........\gobbi.trs .........\.........\makefile .........\.........\pipetalker.c .........\.........\smiles2mdef.trs .........\.........\test.inp .........\.........\tfmtalk.c .........\.........\_readme