The underlying program cif2mtz will convert everything it can recognise, i.e. it will convert intensities or amplitudes or both, depending on what is there.
But what is actually in a PDB cif structure factor file varies greatly. For a start, there's a high chance there are no phases, so no map without doing an extra step (simplest would be a couple of rounds of refinement in refmac and take the map coefficients produced into Coot). Hard to say more without details .... Martyn On Tue, 2008-01-29 at 16:35 +0100, Tim Gruene wrote: > The GUI actually is a quite convenient way. In my experience, however, the > GUI or the program called by the GUI does not check whether the cif > contains intensities or amplitudes. So you can use the GUI, look at the > script it generates and adjust it according to the header in your cif. > > Tim > > -- > Tim Gruene > Institut fuer anorganische Chemie > Tammannstr. 4 > D-37077 Goettingen > > GPG Key ID = A46BEE1A > > > On Tue, 29 Jan 2008, Kristof Van Hecke wrote: > > > Dear all, > > > > I'm looking for a convenient way of converting a .cif structure factor file > > (from PDB) to a map-file (e.g. .mtz) to open with COOT for example..? > > Already tried ccp4i with 'Convert to/modify/extend MTZ', but got a bunch of > > errors when opening with coot.. > > > > Many thanks > > > > Kristof > > -------------------------------------- > > Kristof Van Hecke, PhD > > Biomoleculaire Architectuur > > Celestijnenlaan 200 F > > B-3001 Heverlee (Leuven) > > Tel: +32(0)16327477 > > -------------------------------------- > > > > > > > > > > > > Disclaimer: http://www.kuleuven.be/cwis/email_disclaimer.htm > > -- *********************************************************************** * * * Dr. Martyn Winn * * * * STFC Daresbury Laboratory, Daresbury, Warrington, WA4 4AD, U.K. * * Tel: +44 1925 603455 E-mail: [EMAIL PROTECTED] * * Fax: +44 1925 603825 Skype name: martyn.winn * * URL: http://www.ccp4.ac.uk/martyn/ * ***********************************************************************
