Note: These instructions assume you are using a DEC alpha machine.
If you wish to use XtalView on an SGI, see Mike.
Change directories to your home directory:
Place the following lines in your .login file:
Make an XtalView subdirectory:
Change directories to the XtalView directory:
Copy the XtalView.env file from /joule2/programs/XtalView to the current directory as
cp /joule2/programs/XtalView/XtalView.env .
Think of an abbreviated name for your crystal. For example, if you are working on
dihydrofolate reductase, a good abbreviation would be "dhfr".
Edit the XtalView.env file with your favorite editor . Locate the line that says:
setenv CRYSTAL cvccp
Change "cvccp" to your crystal's abbreviated name, for example dhfr:
setenv CRYSTAL dhfr
Save this edited XtalView.env file.
Then copy the following files to your current directory:
cp /joule2/programs/XtalView/examples/cvccp .
cp /joule2/programs/XtalView/examples/crystals .
cp /joule2/programs/XtalView/examples/projects .
Change the name of the cvccp file to your crystal's abbreviated name, for example:
mv cvccp dhfr
Now, edit the crystals file and replace the word "cvccp" with your
crystal's abbreviated name, for example dhfr.
Now source your .login file. This will, in turn, source XtalView.env:
You are almost ready to begin using XtalView.
The last step is to enter your crystal parameters into the crystal
parameter file. This file will be used by all XtalView programs in
all your future calculations. The editing
can best be done with XtalView's xtalmgr window. Unfortunately, the behavior of
XtalView windows is different on every DEC alpha at UCLA. To ensure
reliable behavior, type:
in your current window.
Telnet to joule or fermi. Type
"setenv DISPLAY localhost:0.0"
localhost is the name of the DEC alpha you are currently using.
Change directories to XtalView and
You will get a window, as in Figure 3A. You should see your crystal's abbreviated
name. In this example, it is dhfr. Choose the "edit" button for "Crystal":
You will get a new window, as in Figure 3B.
Type in the title and unit cell parameters, a,b,c,alpha,beta,gamma. Be sure to press
Enter everytime you enter a new line.
Type in your space group number
then press "Find Space Group by number"
Xtalmgr will automatically input the corresponding
symmetry operators, as seen in Figure 3C.
You should now have an updated crystal file in your directory.
In this example it is called "dhfr." Check the file to see
that it has been updated.
Congratulations! You are all set to use XtalView. Hurray!