Note: All the files mentioned here are available in /sgi/local/replace/Replace/Test/

A. Obtain entry 3ECA from the PDB. Edit the file and remove all the water molecules. Name the file 3eca.pdb

B. Edit 3eca.pdb and keep the model for the first molecule only (chain A). Name the file 3ecaa.pdb.

C. Run 3eca.inp and 3ecam.inp with TF to obtain calculated structure factors.

(Steps A-C have already been done, and the files are included at /srv/local/replace/dist/Replace/Test/.)

D. Run the following test jobs. You can do this by running the test.com file.

  
    Input         Program   CPU (min)     Notes
    File                    SGI R4000

 1. rf_s_o.inp      GLRF       17.5       Ordinary self RF by slow RF (in polar angles),
                                           with contouring.

 2. rf_s_o2.inp     GLRF        3.0       Ordinary self RF by fast RF (in polar angles),
                                           with contouring.

 3. rf_s_l1.inp     GLRF        6.8       Locked self RF by fast RF.

 4. rf_s_l2.inp     GLRF        2.7       Locked self RF by slow RF, fine search.

 5. rf_s_l3.inp     GLRF        0.2       Locked self RF, stereographic projection

 6. rf_x_o.inp      GLRF       10.0       Ordinary cross RF by fast RF with monomer, E's.

 7. rf_x_l.inp      GLRF        8.5       Locked cross RF by fast RF

 8. tf_l.inp        GLRF       12.3       Locked TF by FFT

 9. tf_s.inp        GLRF        2.5       Special TF to locate the NCS 2-fold

10. tf_o.inp         TF         3.3       Patterson-correlation TF for tetramer from locked TF

11. tf1.inp          TF         1.0       PC TF for first monomer

12. tf2.inp          TF         2.8       PC TF for second monomer

13. tf3.inp          TF         5.5       PC TF for third monomer

14. tf4.inp          TF        19.5       Combined MR for fourth monomer

15. tf5.inp          TF         2.0       Phased TF