Hi Folks, There is also convert2mtz which can be found in more recent CCP4 distributions. If you type convert2mtz it will give you details on what is needed.
A couple of caveats with this: - you need to quite the cell constants i.e. 'a b c alpha beta gamma' - the spacegroup has to be written correctly, i.e. 'P 43 21 2' is interpreted correctly, P43212 is interpreted as P1. I find this very helpful for inspecting and using maps from shelxe. Cheers, Graeme 2009/3/5 tommi kajander <tommi.kajan...@helsinki.fi>: > hi, i didnt notice anyone mention phs2mtz > can be found here at least: > > http://schneider.group.ifom-ieo-campus.it/hkl2map/index.html > > -tommi > > On 4.3.2009, at 23.24, Bart Hazes wrote: > >> SFTOOLS should read the phs file and allow you to write it out in a number >> of different formats, including MTZ. >> >> From the command line type: >> >> sftools >> read yourfile.phs >> write yourfile.mtz >> quit >> >> The program will ask a bunch of questions to get space group, unit cell >> etc. >> >> Bart >> >> John Bruning wrote: >>> >>> Hi, >>> I have a .phs file with map coefficients that I would like to open in >>> pymol. So, I would like to convert the file to either a ccp4 or cns map >>> file, or a file format that pymol will recognize. I do not have an .mtz >>> file with the same map coefficients included. Can anyone help me? >>> Thanks, >>> John >> > > Tommi Kajander, Ph.D. > Macromolecular X-ray Crystallography > Research Program in Structural Biology and Biophysics > Institute of Biotechnology > P.O. Box 65 (Street: Viikinkaari 1, 4th floor) > University of Helsinki > FIN-00014 Helsinki, Finland > Tel. +358-9-191 58903 > Fax +358-9-191 59940 >
