Parallel GPGPU Evaluation of Small Angle X-Ray Scattering Profiles in a Markov Chain Monte Carlo Framework - Biomedical Engineering Systems and Technologies - page 203

Fig. 1. Coarse-grained models of protein structure . Example of a protein backbone stretch
(dark gray) with side chain atoms (light gray). The placement of the dummy bodies for the center
of mass of the backbone atoms (dark spheres) and for the side chains (light spheres) are indicated.
Figure prepared with PyMOL [20], adapted from [15].

Fig. 2. Form factors . Mean (dark curve) and standard deviations (shaded areas) for the form
factors ( Y -axis) as a function of q ( X -axis). Left : backbone and side-chains. An asterisk indicates
that this form factor describes both the backbone and side chain atoms of the residue. Right :the
single body form factors. Figure adapted from [15].

2.4 OpenCL Programming Model

An OpenCL program contains a host program that executes on the CPU, and kernels that
execute on the abstracted parallel device. The device consists of one or more compute