You should be able to use the CCP4 utility "coord_format" though this is not in the GUI:
coord_format xyzin ./1ivo.cif xyzout 1ivo.pdb <<eof END eof This converts at least some of the header, including the CRYST1 card. BUT: 1) slight glitch - you need to specify the full path for the cif file, otherwise it goes looking for a dictionary file 2) loading my first attempt into Coot, I also got the "Wrong ASCII format of an integer" message. This seems to be because the HETATMs have no residue number - a little text edit solves the problem. I seem to remember that this is deliberate in mmCIF and was the subject of some debate 10 years ago ... 3) yes, all the atom names are left justified, but Coot seems happy with that. This is because the element name is there, which in turn comes from _atom_site.type_symbol in the cif file HTH Martyn On Tue, 2010-06-01 at 15:21 +0200, Christian Engel wrote: > Dear All, > > I am looking for a ccp4 program that reads in cif-files and converts > them into pdb-files, including the CRYST1 card. Can anybody suggest a > solution? I didn't find any in ccp4i, e.g. the coordinate utilities. > > I also tried COOT to read in cif-files (downloaded from the pdb > server). For one example it crashed, for others it doesn't colour the > bonds properly if "Bonds (Colour by Atom)" is chosen but shows > all bonds in one colour. Is that a known feature? If I save these > coordinates in pdb-format and try to read it back, I get an ERROR > saying: "Wrong ASCII format of an integer". > > > Thanks for any suggestions > Christian Engel > > > > Mit freundlichen Grüßen / Best regards / Cordialement > > Dr. Christian Engel > > Sanofi-Aventis Deutschland GmbH > R&D CAS Structural Biology FFM > Industriepark Hoechst > Bldg. G877, Room 020 > D-65926 Frankfurt am Main > t: +49 69 305 12946 > f: +49 69 305 80169 > w:www.sanofi-aventis.de > > 125 Jahre Arzneimittel aus Deutschland von sanofi-aventis > > > ********************************************************************************************************************************************************************* > Sanofi-Aventis Deutschland GmbH · Sitz der Gesellschaft: > Frankfurt am Main · Handelsregister: Frankfurt am Main, Abt. B > Nr. 40661 > Vorsitzender des Aufsichtsrats: Hanspeter Spek - > Geschäftsführer: Dr. Martin Siewert (Vorsitzender), Ulf > Bialojahn, Dr. Matthias Braun, > Peter Guenter, Prof. Dr. Dr. Werner Kramer, Dr. Klaus Menken, > Dr. Heinz Riederer > > ********************************************************************************************************************************************************************* > > -- *********************************************************************** * * * Dr. Martyn Winn * * * * STFC Daresbury Laboratory, Daresbury, Warrington, WA4 4AD, U.K. * * Tel: +44 1925 603455 E-mail: martyn.w...@stfc.ac.uk * * Fax: +44 1925 603634 Skype name: martyn.winn * * URL: http://www.ccp4.ac.uk/martyn/ * ***********************************************************************
