CCP4 is a large set of stand-alone programs designed primarily for macromolecular X-ray crystallography. There are many programs in the suite that are of interest to anyone dealing with structures of macromolecules.
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Summary of my recommended installation:New: Please read (and edit) my CCP4 on OS X Wiki. This page is now obsolete, and everything new will be on the wiki page. Click on the image below:  Notes on ccp4-6.0.1 compilation Option
1: Install from fink precomiled debian pacakges
Please note
that you
can save yourself some trouble by installing my pre-compiled fink
Debian ccp4 package as explained here.
Doing so will enable you to skip having to compile the whole suite
after every CCP4 patch release I incorporate, and it also enables
you to skip compiling the g77 compiler, which takes an even longer
time to compile.Option
2: Install from fink using source code
I
have now made a fink package for ccp4 6.0.1 and you can get it in
the unstable branch of 10.4. I update this package every time there
is a new patch available from the CCP4 web site (and I also fix any
mistakes or other problems I made at the same time). I put the date
of the latest patch in the package description, so "fink describe
ccp4" will tell you how up to date it is. [The advantage is that
you can then upgrade to the latest patch release of ccp4 every time
you do a selfupdate followed by update-all. It is best to do this
just before you quit for the night, because it can take awhile
(there is no fink method of just patching an existing compilation).
So if you want to do the patches manually, you can avoid this by
not putting the latest info file in your fink local directory.]
If you do not have the "unstable" branch enabled (I don't
need the bleeding edge for most things), first do
this:% fink selfupdate-cvs % fink update-all % sudo ln -s /sw/fink/dists/unstable/main/finkinfo/sci/ccp4* /sw/fink/dists/local/main/finkinfo/. Then just issue % fink install ccp4 Here are some additional customizations that you might find useful. (I have incorporated most of these in the new fink package.) If this works ok, please let me know and I will move it to the "stable" branch of fink.
You'll find a
"lib" subdirectory in the refmac download that contains a bunch of
dymamic libraries. If you run otool -L on them (or on
the refmac executable), you will see output that looks like
this:
% otool -L libxlf90.A.dylib
libxlf90.A.dylib: /opt/ibmcmp/lib/libxlf90.A.dylib
This tells us that for best results, put the dynamic libraries into
a directory called /opt/ibmcmp/lib (you will have to create it
unless you have the ibm compilers). (If you want to put these
elsewhere, then you must set the DYLD_LIBRARY_PATH. It is
better to avoid this if you can.)
Additional software from Gerard Kleywegt (USF): |
