Chemdraw figure preparation: Difference between revisions
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(Created page with "Chemdraw figures. First, kekulize your SMILES (remove aromatic groups). convert.py --i=prospective_tries.smiles --o=temp.smi --smioKekule Now, copy/paste each SMILES into ...") |
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Revision as of 18:33, 26 June 2013
Chemdraw figures.
First, kekulize your SMILES (remove aromatic groups).
convert.py --i=prospective_tries.smiles --o=temp.smi --smioKekule
Now, copy/paste each SMILES into chemdraw (or, if chemdraw doesn't let you, marvin). If using marvin, then save as a chemdraw file, reopen with chemdraw, copy/paste into the journal template, save again and save a PDF to put into the paper text as well.
Fun stuff.