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http://grade.globalphasing.org/cgi-bin/grade/server.cgi Tony. --- Dr Antony W Oliver Senior Research Fellow CR-UK DNA Repair Enzymes Group Genome Damage and Stability Centre Science Park Road University of Sussex Falmer, Brighton, BN1 9RQ email: antony.oli...@sussex.ac.uk<mailto:antony.oli...@sussex.ac.uk> tel (office): +44 (0)1273 678349 tel (lab): +44 (0)1273 677512 From: Shya Biswas <shyabis...@gmail.com<mailto:shyabis...@gmail.com>> Reply-To: Shya Biswas <shyabis...@gmail.com<mailto:shyabis...@gmail.com>> Date: Wed, 9 May 2012 12:08:39 -0400 To: <CCP4BB@JISCMAIL.AC.UK<mailto:CCP4BB@JISCMAIL.AC.UK>> Subject: [ccp4bb] pdb and cif file generation from smiles string 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
