On 9 May 2012, at 17:08, Shya Biswas wrote:

Hi all,
I am having trouble generating a pdb and cif file from the following smiles string:
O=C(C[N+]23CN1CN(CN(C1)C2)C3)c4cccc5ccccc45

Prodrg fails to run when i draw the molecule in JME editor was wondering if anyone knows a better program which does this kind of job.
thanks in advance,
shya

Dr Garib N Murshudov
Group Leader, MRC Laboratory of Molecular Biology
Hills Road 
Cambridge