Hi you can draw the structure using Avagadro free software and obtain the .xyz coordinates from it. Regards, Varrun Ashok
On 22 April 2011 02:59, janakiraman balachandran <[email protected]> wrote: > Hi > > I'm trying to look out for some scripts which can add Au atoms to the end > of the molecules to perform transport calculation. > > Regards > Ram >
