On Fri, Jul 13, 2012 at 2:12 PM, Jason Vertrees <jason.vertr...@schrodinger.com> wrote: > It would be nice if publishers required a common CSV format for > specifying contacts and annotations. Then we could easily pull the > data from reliable resources. But, alas, this doesn't exist.
One possible (albeit incomplete) way to do this is with the SITE records in PDB files: http://www.wwpdb.org/procedure.html#toc_10 For instance, trypsin (http://www.rcsb.org/pdb/files/1SGT.pdb?headerOnly=YES): SITE 1 CAT 3 HIS A 57 ASP A 102 SER A 195 SITE 1 AC1 6 ASP A 165 ALA A 177A GLU A 180 GLU A 230 SITE 2 AC1 6 HOH A 259 HOH A 261 Obviously this still requires that the authors actually perform the annotation. It's a poor substitute for having (for instance) entire PyMOL sessions accompanying a PDB deposition, but I've learned to keep my expectations low. -Nat ------------------------------------------------------------------------------ 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/ _______________________________________________ PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net
