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Thereafter, the generated coordinates were submitted to InSilicoTEM for projection generation using the condition of 200 kV acceleration voltage and 2 Å/pixel in a CCD camera.
At first the RDB containing hand generated coordinates is scanned for a template of the given ring system.
Each pass was started from a set of randomly generated coordinates.
We apply now our method using this data and the randomly generated coordinates.
Three successive PASD passes of cross peak assignment and simulated annealing were performed and each pass was started from a set of randomly generated coordinates.
Thus, the number of generated coordinates is bounded by O(1/ ε).
Similar(48)
After the transformation, a normal distributed noise was added to the generated coordinate set with zero means and standard deviation of σ x = 0.07 m, σ y = 0.08 m, σ z = 0.10 m.
If this constraint is satisfied, the distance between the target coordinate and any generated coordinate representing the same atom is upper bounded by r.
For each generated coordinate P i 1 of the first atom, an idealized coordinate of the second atom lies on a ball surface with a constant distance to P i 1.
One assumption is that given two generated idealized structures P i 1, t − 1 and P j 1, t − 1 of the first t−1 atoms, such that D (P i t − k, t − 1, P j t − k, t − 1 ) ≤ ε, for any generated coordinate P i t of the t'th atom, there always exists a generated coordinate P j t, such that D (P i t, P j t ) ≤ ε.
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