| Is that what you are looking for?
libcheck cn generate it (JLigand should be able). grade should also generate from smiles.
Garib
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1.cif
Description: Binary data
1.pdb
Description: Binary data
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
Group Leader, MRC Laboratory of Molecular Biology
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