the current makecif.tar.gz doesnt have all the known PDB Mo compounds it does have PCD.cif you could look at as a template
try downloading from the pdb sites the dic for MSS MTQ MTV and see if one of these is your compound then use this as th starting point for the refmac dictionary all 4 are molybdopterin variants you can download the mmcif from http://www.ebi.ac.uk/msd-srv/msdchem/ or http://remediation.wwpdb.org/pyapps/ldHandler.py?query=mss or the ftp areas for the pdb see http://www.wwpdb.org/ or http://ligand-depot.rutgers.edu/ http://xray.bmc.uu.se/hicup/ has the MSS etc as xplor/cns O and TNT dictionaries which will also help in making the makecif/refmac dictionary -- Kim HENRICK [EMAIL PROTECTED] ::telephone: +44 (0) 1223 494629
