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Description
Dear Jan,
Thanks for your great program, really like the renderings! Sadly, I encountered two issues when using it (see my setup below).
I'm using the local installation on a cluster and I do the two steps only-predict and only-render separately as described in the documentation. As a test sequence I'm using IF1_ecoli from your benchmarking examples.
For my colabfold predictor script I'm using Colabfold 1.5.2 (pip's alphafold-colabfold v2.3.5 using alphafold v2.3.1) and this command:
colabfold_batch --msa-mode single_sequence MUTAMORE_INPUT MUTAMORE_OUTPUT
For esmfold I'm using commit 2b36991 and this command:
esm-fold -i MUTAMORE_INPUT -o MUTAMORE_OUTPUT
When using colabfold, both prediction and rendering finish successfully, but during rendering I encounter the following warning for a lot of structures:
WARNING: ignoring experimental structure predictionColab/multi1_H12M.pdb since it does not have the same length as the wild-type structure
And all output images are plain white.
When using esmfold, prediction works well, but the rendering process fails with
main() line 158, in main render_3d_frames(id, seq, prediction_dir, png_dir, movie_width - matrix_frame_width, movie_height, scale_factor, zoom_factor, experimental_mutations, args.experimental_dir, topN_indices) File "MutAmore/render_3d_frames.py", line 95, in render_3d_frames write_png(id, pdb_file, png_file, width=width, height=height, scale_factor=scale_factor, zoom_factor=zoom_factor, transparency=transparency) File "MutAmore/render_3d_frames.py", line 53, in write_png img = Image.open(png_file) File "HOME/.local/lib/python3.8/site-packages/PIL/Image.py", line 3147, in open raise UnidentifiedImageError( PIL.UnidentifiedImageError: cannot identify image file './tmp/IF1_ECOLI/png/IF1_ECOLI_K3D.png'
But a) the png does exist and the process fails with different images when re-run. And b) the rendering process finishes successfully on my laptop. But again, all created output images are plain white, even though I see the similarity matrix on the right of the movie.
Any idea what is possibly wrong? Thanks in advance and have a great day!
Philipp