From: Solving the molecular distance geometry problem with inaccurate distance data
Fragment with 100 atoms | ||||||
---|---|---|---|---|---|---|
ε = 0.00 | ε = 0.08 | |||||
〈 LDME 〉 | 〈 RMSD 〉 | 〈 TIME 〉 | 〈 LDME 〉 | 〈 RMSD 〉 | 〈 TIME 〉 | |
dgsol | 8.29E-03 | 3.93E-01 | 3.61E+00 | 3.31E-03 | 8.25E-01 | 4.40E+00 |
buildup | 3.50E-15 | 1.46E-14 | 1.08E-01 | 0.00E+00 | 3.13E-01 | 1.08E-01 |
lsbuild | 6.47E-15 | 1.20E-14 | 1.51E-01 | 0.00E+00 | 7.77E-02 | 1.33E-01 |
Fragment with 200 atoms | ||||||
ε = 0.00 | ε = 0.08 | |||||
〈LDME〉 | 〈RMSD〉 | 〈TIME〉 | 〈LDME〉 | 〈RMSD〉 | 〈TIME〉 | |
dgsol | 3.18E-02 | 2.58E+00 | 1.48E+01 | 4.00E-03 | 2.45E+00 | 1.73E+01 |
buildup | 4.85E-15 | 2.45E-14 | 3.11E-01 | 0.00E+00 | 5.18E-01 | 3.11E-01 |
lsbuild | 1.90E-14 | 5.21E-14 | 6.01E-01 | 0.00E+00 | 4.21E-01 | 5.25E-01 |