ss/ 0040775 0000016 0000012 00000000000 06557450377 0012516 5 ustar 00jjdelany staff 0000040 0000037 ss/rxntk1.html 0100664 0000016 0000012 00000002302 06557435152 0014617 0 ustar 00jjdelany staff 0000040 0000037
Generates unique SMILES. Takes SMILES strings on input, makes an object, generates unique SMILES and prints them on output.
dt_smilin()
returns either a reaction or molecule
object for the given SMILES string.
dt_cansmiles()
accepts either a reaction or molecule
object.