Dear Ram, On Fri, Sep 17, 2010 at 6:29 AM, ramgopal mettu <chocolate.cu...@gmail.com> wrote: > Hi All, > I've just started using RDKit and am finding it extremely useful, > particularly for generating for depictions. I have a rather simple
I'm glad to hear it. > question about generating PDFs. Is it possible to generate a PDF that > is sized according to the molecule depicted? For example, if I > execute: > > from rdkit.Chem import AllChem > from rdkit.Chem import Draw > > smiles = "CN1C=NC2=C1C(=O)N(C(=O)N2C)C" > mol = AllChem.MolFromSmiles(smiles) > Draw.MolToFile(mol,"caffeine.pdf") > > I will get a PDF file that is a single letter size page - using the > size option simply crops the image on the page. I'd like to use the > figures I depict within a latex document, so being able to resize > would be incredibly useful. Thanks! If you install pycairo, Draw.MolToFile will use cairo to draw the molecules and the pdfs should behave as you wish. -greg ------------------------------------------------------------------------------ Start uncovering the many advantages of virtual appliances and start using them to simplify application deployment and accelerate your shift to cloud computing. http://p.sf.net/sfu/novell-sfdev2dev _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
