Le 07/03/2017 à 19:00, Markus Metz a écrit : > Does anybody have a suggestion how I might change the molecular > representation?
Dear Markus, If you want a clever image, you could use pymol in XML-RPC mode (https://iwatobipen.wordpress.com/2013/09/16/rdkit-and-pymol/), or draw an image with thicker bonds (http://asteeves.github.io/blog/2015/01/12/optimizing-in-rdkit/, but check also http://asteeves.github.io/blog/2015/01/14/editing-in-rdkit/ especially the second point for drawing parameters). I'm not 100% sure it will be perfect for your needs, especially if you have large molecules (or a lot of them), but at least you have entry pointers to dig with. Best, Stéphane -- Lecturer, UFIP, UMR 6286 CNRS, Team Protein Design In Silico UFR Sciences et Techniques, 2, rue de la Houssinière, Bât. 25, 44322 Nantes cedex 03, France Tél : +33 251 125 636 / Fax : +33 251 125 632 http://www.ufip.univ-nantes.fr/ - http://www.steletch.org ------------------------------------------------------------------------------ Announcing the Oxford Dictionaries API! The API offers world-renowned dictionary content that is easy and intuitive to access. Sign up for an account today to start using our lexical data to power your apps and projects. Get started today and enter our developer competition. http://sdm.link/oxford _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
