Chemdraw figure preparation: Difference between revisions

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Fun stuff.
Fun stuff.
[[Category:Internal]]
[[Category:Cheminformatics]]

Latest revision as of 03:05, 14 February 2014

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.