Chemmol.exe and test molfiles

The executable, dos program CHEMMOL.exe and examples of MDL molfiles referenced in the 1995 ECTOC can be got from Bradford Universities anonymous ftp facility:

Remote host name =

Your user name = ftp

Your Password = Your full Email address

You then change to subdirectory INCOMING

Then change to its subdirectory CHEMMOL

Copy the whole of this directory (or the relevant parts if you know them) to a new and unused directory CMOL on your computer.


Chemmol.exe and examples of original mol files and converts should have been copied to a new directory(we use cmol) on your computer.

At the dos prompt you should change directory to cmol and then type:

cmol> chemmol filename1.mol filename2.mol

Where filename1.mol(must comply with a dos file name) refers to the original 2D MDL-molfile and

filename2.mol(must comply with a dos file name) is the name of the DC converted file.


cmol> chemmol taxol.mol dctaxol.mol

will convert the 2D Taxol structure to the DC equivalent version and save it in directory cmol.( We use the convention that dc is used to preface all our chemmol converts.)