Feature release that brings speed optimizations, ChimeraX visualizations, and improvements to rescoring.
Main changes:
- supported Java versions: 17 to 23 (Java 11 is no longer supported)
- speed optimizations
- ~2x speedup on large datasets (due to faster model inference)
- ~2x speedup when processing a single file (due to faster model loading)
- added ChimeraX visualizations (thanks to @JavierSanchez-Utges and @elainecmeng for help)
- new
-vis_renderers 'pymol,chimerax'
parameter to turn individual visualization renderers on/off
- new
- rescoring improvenemts
prank rescore
command now generates apredictions.csv
file and can serve as a drop-in replacement forprank predict
in most scenarios- new
prank fpocket-rescore
command to automatically run fpocket and rescore its predictions - new experimental rescoring model
prank rescore -c rescore_2024
This version contains the same prediction models as version 2.4 .