indeed, the SITE records could easily be parsed and made available as named selections.
Similar: http://pymolwiki.org/index.php/Uniprot_features -> makes named selections from uniprot annotations Cheers, Thomas Nat Echols wrote, On 07/13/12 23:24: > 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 -- Thomas Holder MPI for Developmental Biology Spemannstr. 35 D-72076 Tübingen ------------------------------------------------------------------------------ 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
