Using the "-r atoms.radii" option is not necessary.

The default values as listed below will be used if you do not use the option.

If you want to change the atom radii copy the file to the current working directory:

cp /sgi/local/msp/v3.5/doc/atoms.radii .

edit the file, and use the option as indicated in the command line:

    1  1.60      0.57   O=C
    2  1.70      0.66   OH
    3  1.60      0.57   OCO
    4  1.65      0.70   NH
    5  1.70      0.70   NH2
    6  1.75      0.70   NH3
    7  1.85      0.77   CH
    8  1.90      0.77   CH2
    9  1.95      0.77   CH3
   10  1.80      0.67   CAr
   11  1.90      0.70   CHAr
   12  1.90      1.04   S
   21  1.50      1.50   Metal                   
   31  2.00      0.77   CAlNu
   32  1.77      0.67   CArNu
   33  1.40      0.66   OSuNu
   34  1.64      0.57   O=CNu
   35  1.64      0.57   OPONu
   36  1.55      0.65   NArNu
   37  1.86      0.70   NAlNu
   38  1.80      0.95   P
   99  1.00      0.50   H

cp /sgi/local/msp/v3.5/doc/* .

Edit atoms.radii and mspattern.h to suit your case, then give a command similar to the following:

msroll -m 2rns.pdb -p 1.4 -r atoms.radii -y mspattern.h -v prot.vol

Last CSB Revision: Tuesday, 10-Jun-1997 15:48:16 EDT