Crystallography on OS X
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Here is some of what is currently available:



Click this link to see the most up-to-date list of the fink packages that I currently maintain.  If you install one of these, please give me feedback.  If it is in unstable, I will move it to stable once I hear back from a few people that it works for them as it works for me.  As of May 15 2004, the list was as follows:


  • alidot - Detecting Conserved RNA Structures
  • ccp4 - Macromolecular crystallography package
  • ccsl - Cambridge Crystallographic Subroutine Library
  • clipper - Object-oriented crystallographic libraries
  • coot - Crystallographic object-oriented toolkit & molecular graphics
  • eden - Electron density holographic refinement
  • gtk-canvas - GTK widget for GNOME canvas
  • guile16-goosh - Guile processs-control lib
  • guile16-gtk - Glue code to link gtk to guile
  • guile16-gui - Guile gui scheme code
  • guile16-www - Guile WWW library
  • infernal - RNA secondary structure alignments
  • libssm - Protein secondary structure matching lib
  • mccp4 - CCP4 mtz and map libs
  • mead - Molecular electrostatics calculation
  • mfold - Zuker's RNA secondary structure prediction
  • mmdb - CCP4 Macromolecular Coordinate Library
  • molmol - MOLMOL molecular display program
  • mosflm - X-ray data processing, default display
  • mosflm-small - X-ray data processing, small display
  • namot - Nucleic Acid MOdelling Tool
  • pos - Finder-terminal 2-way interaction scripts
  • refmac - Crystallographic refinement
  • rnabob - Fast RNA motif/pattern searcher
  • rnamotif - RNA search for secondary structure motifs
  • rsearch - RNA database search with structure queries
  • tinker - Molecular modeling software package
  • viennarna - RNA structural prediction



  • In addition, I have used the fink format to port several packages that cannot be distributed via fink because they have restricted downloads.  So, for example, if you want to install CNS using fink, you must download the source-code yourself and stick it into /sw/src and then you can use my fink install script cns.info to install it by placing that file into /sw/fink/dists/local/main/finkinfo  (Make that directory if you don't already have it.)

    The following are "local" fink packages and a couple of non-fink installation shell scripts:





    Do I have to compile all this stuff, or can I install binary files* like I do with other fink packages?


    Fink does not distribute binaries of packages unless the package is in the stable branch and the license is not restrictive.  If you want to use the debian packages that I have compiled on my G4, I have made them accessible from our server here. You can either fish these out manually or you can configure fink to use apt-get to install binary packages that are on my server.









    *Binary Files:  When you compile a package using fink, it first generates a debian package file, which contains the compiled binaries and anything else that gets installed, in one convenient package file with a suffix .deb.  If you issue

    % fink build packagename

    fink will make this file and then stop.  If you then issue

    % fink install packagename

    fink will continue and will unpack and install the contents of the packagename_xxx .deb file using the corresponding packagename.info file to instruct it.  If you download both files and put them in the appropriate directories as described in the first row of the table, fink will behave as if you are installing a package you compiled yourself.  This is, in essence, how binaries are distributed via fink. 

    A large collection of binary foo.deb files to supplement what fink has can be viewed and downloaded from this website.  This can save you a lot of time compiling stuff, like dependencies for some of the above programs, that is unavailable using sudo apt-get install packagename

    If you get an error like this:

    ### execution of wget failed, exit code 1
    Downloading the file "nab-4.5.2.tar.gz" failed.

    (1)      Give up
    (2)      Retry the same mirror
    (3)      Retry another mirror from your country
    (4)      Retry another mirror
    (5)      Retry using original source URL

    Enter this:

    How do you want to proceed? [3] 5

Or fix it forever like this:


sudo perl -pi -e 's|MasterFirst|MasterLast|g' /sw/etc/fink.conf



Other pages in this series:

2.  Here is all you need to do.
3.  Here is how it all works.
4.  Important additional comments
5.  Back to "Installing Crystallography Software automatically using fink"



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