Table 6 Approximate computation times.
From: A comprehensive analysis of 40 blind protein structure predictions
Task | ~ Time per CPU | ~ Time for cluster |
|---|---|---|
Comparison of two protein sequences | < 1 sec | - |
Clustering of sequence families for 3000 proteins | 3 days | 1 day |
Initial model building by minimum perturbation | < 1 sec | - |
Graph-theory search with 30,000 nodes | 24 hours | - |
Re nement of single model using ENCAD for 200 steps | < 1 sec | - |
Evaluation by all-atom function for one conformation | < 1 sec | - |
Generating a three-dimensional conformation | < 1 sec | - |
Trajectory of 10,000 steps to generate one decoy | 1 minute | - |
Generating 10,000 decoys | 10000 minutes | 3 hours |