On Wed, Jul 4, 2012 at 3:38 PM, JP <jeanpaul.ebe...@inhibox.com> wrote: > A suggestion, if I'm allowed.
suggestions are always allowed. They may, of course, be ignored. ;-) > I am trying to build a PDB file parser to return an rdkit mol (representing > a protein) from a pdb file. > > I have battled and partially won the glue code between C++ and python. This > was by far the most difficult bit extending rdkit. But there have been > casualties and I am not sure I 100% understand what is going on (how is my > code automatically residing in the Chem package? why do you need this struct > anyway?). If I may suggest a hands on/tutorial session at the RDKit user > meeting on this -- I think it will be a topic worth broaching. If there is > enough interest, a free slot in the programme and someone with the > capabilities to explain of course. Capabilities to explain is, of course, not a problem. I'm also happy to do it, but the topic is pretty specialized, so I wonder how many others would be interested. -greg ------------------------------------------------------------------------------ Live Security Virtual Conference Exclusive live event will cover all the ways today's security and threat landscape has changed and how IT managers can respond. Discussions will include endpoint security, mobile security and the latest in malware threats. http://www.accelacomm.com/jaw/sfrnl04242012/114/50122263/ _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
