So I basically have the site business up and running. But there's one hitch. Anybody know what's going on here?...
PDB SITE: http://www.wwpdb.org/documentation/format23/sect7.html Record Format COLUMNS DATA TYPE FIELD DEFINITION ------------------------------------------------------------------------ 1 - 6 Record name "SITE " 8 - 10 Integer seqNum Sequence number. 12 - 14 LString(3) siteID Site name. 16 - 17 Integer numRes Number of residues comprising site. 19 - 21 Residue name resName1 Residue name for first residue comprising site. 23 Character chainID1 Chain identifier for first residue comprising site. 24 - 27 Integer seq1 Residue sequence number for first residue comprising site. 28 AChar iCode1 Insertion code for first residue comprising site. ... etc. So here they are allowing for an insertion code but not an alternative conformation id, which might make sense, since a site probably would be represented in both alternative conformations. CIF dictionary says: # struct_site_gen * _struct_site_gen.auth_asym_id * _struct_site_gen.auth_atom_id * _struct_site_gen.auth_comp_id * _struct_site_gen.auth_seq_id * _struct_site_gen.details * _struct_site_gen.id * _struct_site_gen.label_alt_id * _struct_site_gen.label_asym_id * _struct_site_gen.label_atom_id * _struct_site_gen.label_comp_id * _struct_site_gen.label_seq_id * _struct_site_gen.site_id * _struct_site_gen.symmetry OK... so where's the insertion code here? Looks to me that this time we have an alternative location ID, but not an insertion code. I also don't see why the "auth_" set is different from the "label_" set. Explanation? Examples? Bob -- Robert M. Hanson Professor of Chemistry St. Olaf College Northfield, MN http://www.stolaf.edu/people/hansonr If nature does not answer first what we want, it is better to take what answer we get. -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 ------------------------------------------------------------------------- This SF.net email is sponsored by: Splunk Inc. Still grepping through log files to find problems? Stop. Now Search log events and configuration files using AJAX and a browser. Download your FREE copy of Splunk now >> http://get.splunk.com/ _______________________________________________ Jmol-developers mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-developers
