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On Thu, May 18, 2006 at 10:58:52AM -0700, Ethan Merritt wrote: > > A question for the group: is there any push to get TLS parameters > > incorporated into the standard PDB data format? > > The PDB format is dead, it's passed on! This format is no more! > It has ceased to be! It's expired and gone to meet its maker! > If you hadn't wired it into the code of many programs it would be > pushing up the daisies! > > No, really. Extensions to the PDB format itself are highly > unlikely. It exists as a legacy intermediate to the underlying > archival mmCIF-derived database info. Formats exists to make a specific task easy and understandable. To me there is a distinction between a working format and a storage/archival format - since archival of data (consisting of coordinates as well as a lot of meta-information) is a very different task from working with X, Y, Z, OCC, B (and a few other things). I don't think the 'one size fits all' approach works well in this case: PDB might be bad for archival but it is easy as a working format, whereas mmCIF is probably great for databases (I'm no expert there) but I find it difficult to use as a working format. Cheers Clemens -- *************************************************************** * Clemens Vonrhein, Ph.D. vonrhein AT GlobalPhasing DOT com * * Global Phasing Ltd. * Sheraton House, Castle Park * Cambridge CB3 0AX, UK *-------------------------------------------------------------- * BUSTER Development Group (http://www.globalphasing.com) ***************************************************************
