[ccp4bb] pdb/mmcif to cif

2013-04-13 Thread Pascal
Hi, Is anyone know how I can convert a pdb or mmcif file into the cif format ? I am trying to convert this file: http://pdb.org/pdb/explore/explore.do?structureId=3NIR Thanks, Pascal smime.p7s Description: Signature cryptographique S/MIME

Re: [ccp4bb] Puzzling Structure

2013-04-13 Thread MARTYN SYMMONS
Dear Robbie A shame then that these 'helpful' annotators did not make use of  Pavel's basic sanity on the space group (*mentioned below) and check back to the one listed in the uploaded PDB file.  I often wonder why the PDB does not make the deposited coordinate file publicly available so

Re: [ccp4bb] Puzzling Structure

2013-04-13 Thread Robbie Joosten
Hi Martyn, A shame then that these 'helpful' annotators did not make use of Pavel's basic sanity on the space group (*mentioned below) and check back to the one listed in the uploaded PDB file. As far as I know, EDS is run on all new depositions at PDBe. I don't know whether they already did