Figure 1From: RMol: a toolset for transforming SD/Molfile structure information into R objectsMolfile <—> RMol mapping. Four structural elements (entry header EH, counts line CL, atom block AB, bond block BB) from a Molfile are transformed to list elements of an RMol object. Column labels of the RMol data frames CL, AB, BB are named according to the CT (Chemical Table) file specifications[23].Back to article page