Installing Shelx on OS X

From OS X Scientific Computing

Jump to: navigation, search


Installing Shelx manually is easy

1. Obtain a license and download Shelx source code (unix.tgz).

2. Install ccp4 (and if you are using fink, be sure to install ccp4-dev).

3. Install gfortran (the gcc43 package in fink).

4. Issue the commands

tar xvfz unix.tgz
cd unix
wget http://scottlab.ucsc.edu/xtal/install_shelx.zsh
chmod a+x install_shelx.zsh
./install_shelx.zsh /usr/local/bin

(You can substitute any bin directory in your $PATH for /usr/local/bin.)

5. You might also want to get hkl2map and put it in your $PATH

6. I recommend using coot rather than xfit. Coot reads foo.phs files produced by shelx.




Alternatively, you can just download the binary distribution for shelx.




hkl2map_gui.png

The hkl2map TCLTK gui running in the OS X aqua environment.

Personal tools