Table 2. Comparison of the performance of four common molecular-replacement programs on two test cases of data.
| AMoRe | MOLREP | EPMR | Phaser | |
|---|---|---|---|---|
| H. pylori DHQase (F23), Z = 1 | ||||
| Correct solution | Yes | Yes | No | Yes |
| R factor/CC† | 0.46/0.42 | 0.51/0.33 (0.48/0.38‡) | 0.54/0.20 | 0.46/0.43 |
| Computation time | 54min | 1h 13min | 23min§ | 4min |
| S. coelicolor DHQase (P1), Z = 192 | ||||
| Correct solutions | Yes (16) | Yes (14) | Yes (11) | Yes (16) |
| R factor/CC† | 0.37/0.77 | 0.55/0.51 (0.41/0.74‡) | 0.51/0.54 | 0.33/0.88 |
| Computation time | 57min | 5h 12min | 2d 16h§ | 30d 6h |
All R factors and correlation coefficients were calculated from output coordinates using REFMAC5 for consistency.
After six cycles of rigid-body refinement using REFMAC5 with data to 4.
Using all four processors of the computer.