In our method, the 3D conformer overlay used in computing the shape Tanimoto is generated by simply reusing the transformation, i.e., the rotation matrix and translation vector, from the overlay to the common reference shape.
The consensus wing was used for aligning all individual shape configurations and for computing the shape components (i.e., partial warps and the uniform component) in tpsRelw [ 64].
In their approach, target profiles were generated for a given query molecule by computing the maximal 3D-shape and chemistry-based similarity to the collection of drugs assigned to each protein target [25].
The change in the heart model was visually evaluated by computing the wall thickening and/or wall motion from end-diastolic shape to end-systolic shape and visualizing the results using color maps overlaid on the mean heart model.
We quantified the shape of the obtained average waveform by computing the peak-to-peak latency for all the global by local frequency combinations.
The accuracy and applicability of the model to wind engineering problems are successfully assessed by computing the aerodynamic behaviour of some simple cross-section shapes.
As for bilateral symmetry, the resulting consensus shape is symmetric and it is possible to extract components of symmetric and asymmetric variation by computing the appropriate averages or differences between landmark configurations after the Procrustes fit.
You measure the opportunity cost by computing the value of the road not taken.
To compute the shape of a signal after it passed e.g. a cable you first need to know how much a specific frequency is attenuated by the cable.
Our presentation is organised as follows: We first show how to compute the shapes and Boltzmann-weighted energies of individual structures, and, by analogous means, the partition function.
