Table 1 Statistics of the time taken by CRAFT at each step to identify cavities and cavity properties using different proteins
From: CRAFT: a web-integrated cavity prediction tool based on flow transfer algorithm
Protein | No. of atoms | Delaunay triangulation + Delimiter atoms + Susceptible tetrahedra | Cavity scan | Properties | Miscellaneous | Total time (s) | Time per atom (ms) | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|
time(s) | % | time(s) | % | time(s) | % | time(s) | % | ||||
1S19 | 2012 | 0.03 | 19.1 | 0.03 | 21.1 | 0.08 | 52.6 | 0.01 | 7.2 | 0.15 | 0.08 |
2BQM | 2240 | 0.03 | 21.1 | 0.03 | 20.4 | 0.07 | 48.5 | 0.01 | 9.9 | 0.14 | 0.06 |
2VOM(A) | 3694 | 0.05 | 14.3 | 0.08 | 23.2 | 0.19 | 55.6 | 0.02 | 6.8 | 0.35 | 0.09 |
2ABM | 6572 | 0.09 | 13.2 | 0.17 | 25.3 | 0.36 | 54.4 | 0.05 | 7.2 | 0.67 | 0.10 |
4EY7(A) + H | 8148 | 0.11 | 14.7 | 0.17 | 23.0 | 0.41 | 55.4 | 0.05 | 6.9 | 0.73 | 0.09 |
2F91 | 27325 | 0.21 | 12.0 | 0.44 | 24.6 | 1.04 | 58.8 | 0.08 | 4.6 | 1.78 | 0.06 |