The PRODRG server will convert coordinates for small molecules in PDB format to the following topology formats: GROMOS, GROMACS, WHAT IF, REFMAC5, CNS, O, SHELX, HEX and MOL2. In addition, coordinates for hydrogen atoms are generated.
There is an option to sketch a small molecule in a simple text editor to obtain all of the above topology files + a GROMOS energy minimized coordinate file.
Documentation, Other Resources
Last modified: 02/05/07