Considering all the recent posts on this very forum regarding the excellent Grade; I would suggest a quick visit here…
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: [email protected]<mailto:[email protected]> tel (office): +44 (0)1273 678349 tel (lab): +44 (0)1273 677512 From: Shya Biswas <[email protected]<mailto:[email protected]>> Reply-To: Shya Biswas <[email protected]<mailto:[email protected]>> Date: Wed, 9 May 2012 12:08:39 -0400 To: <[email protected]<mailto:[email protected]>> 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
