Rendering protein mutation movies with MutAmore

BMC Bioinformatics

Table 1 Benchmark of MutAmore in 720p and 4 K resolution for twelve proteins

Runtime of individual pipeline steps in seconds for screen resolutions 720p and 4 K, summed up over twelve proteins with lengths between 72 and 639 residues (total number of SAVs/3D predictions: 55,879; total number of seconds playtime: 2941). Structure prediction with ESMFold [6] and structural similarity computation using lDDT [34] are naturally unaffected by larger image sizes, but 3D rendering with PyMOL [36], compositing (putting together the individual image pieces) and movie rendering (encoding individual frames to a movie) scale with a factor closer to the increase in screen estate. Additional file 1: Tables S1–S12 in the Supporting Online Materials break down the runtime for each of the twelve proteins while Additional file 1: Fig. S13 visualizes the scaling of runtime with protein length. The 1.4 million seconds required for the ESMFold 3D predictions amounted to about 16 days

ISSN: 1471-2105