[ccp4bb]: New utility to convert cif structure factor files

["M.D.Winn" <M.D.Winn@dl.ac.uk>]

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Following some recent postings on the BB, I've put together
a little utility (similar to f2mtz) which will convert mmCIF
structure factor files (as obtained from PDB) to MTZ format.
The utility is at

ftp://ccp4a.dl.ac.uk/pub/ccp4/prerelease/cif2mtz.tar.gz

That includes a Fortran source file, a new Makefile.in, and some
html documentation. To compile, you can use the new Makefile.in 
in $CCP4/src, generate a new Makefile, and type "make cif2mtz"
or you can do it directly with something like:

f77 -O2 -n32 -w -nocpp  -o cif2mtz cif2mtz.f -L../lib/src -lccp4 -L../lib/ccif -lccif

Note that it uses the ccif library, so if you have configured with
--disable-ccif then you won't be able to use it.

If all the necessary information is in the cif file, then you can
run it without keywords. But there are keywords to supply info if
necessary, e.g. a CELL keyword is that is missing.

I've tested it on the output of mtz2various, and on r1gn4sf.ent.Z from
the PDB. But I have probably missed something! So feedback welcome.

Cheers
Martyn


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**************************************************************************
*                                                                        *
*                  Dr. Martyn Winn                                       *
*                                                                        *
*      Daresbury Laboratory, Daresbury, Warrington, WA4 4AD, ENGLAND     *
*      Tel: +44 1925 603455    E-mail: m.d.winn@ccp4.ac.uk (personal)    *
*      Fax: +44 1925 603825    E-mail: ccp4@ccp4.ac.uk  (CCP4 problems)  * 
*          URL: http://www.ccp4.ac.uk/martyn/martyn.html                 *
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