diff --git a/AlphaFold2.ipynb b/AlphaFold2.ipynb index 65db5767..5ca755bb 100644 --- a/AlphaFold2.ipynb +++ b/AlphaFold2.ipynb @@ -471,7 +471,10 @@ " img = f.read()\n", " return prefix + base64.b64encode(img).decode('utf-8')\n", "\n", - "pae = image_to_data_url(os.path.join(jobname,f\"{jobname}{jobname_prefix}_pae.png\"))\n", + "pae = \"\"\n", + "pae_file = os.path.join(jobname,f\"{jobname}{jobname_prefix}_pae.png\")\n", + "if os.path.isfile(pae_file):\n", + " pae = image_to_data_url(pae_file)\n", "cov = image_to_data_url(os.path.join(jobname,f\"{jobname}{jobname_prefix}_coverage.png\"))\n", "plddt = image_to_data_url(os.path.join(jobname,f\"{jobname}{jobname_prefix}_plddt.png\"))\n", "display(HTML(f\"\"\"\n", @@ -493,7 +496,7 @@ "\n", "
\n", "

Plots for {escape(jobname)}

\n", - " \n", + " { '' if pae == '' else '' }\n", " \n", " \n", "
\n", diff --git a/colabfold/batch.py b/colabfold/batch.py index 8c986501..8818e52b 100644 --- a/colabfold/batch.py +++ b/colabfold/batch.py @@ -1620,13 +1620,13 @@ def run( "max_predicted_aligned_error":scores[0]["max_pae"]})) result_files.append(af_pae_file) - # make pAE plots - paes_plot = plot_paes([np.asarray(x["pae"]) for x in scores], - Ls=query_sequence_len_array, dpi=dpi) - pae_png = result_dir.joinpath(f"{jobname}_pae.png") - paes_plot.savefig(str(pae_png), bbox_inches='tight') - paes_plot.close() - result_files.append(pae_png) + # make pAE plots + paes_plot = plot_paes([np.asarray(x["pae"]) for x in scores], + Ls=query_sequence_len_array, dpi=dpi) + pae_png = result_dir.joinpath(f"{jobname}_pae.png") + paes_plot.savefig(str(pae_png), bbox_inches='tight') + paes_plot.close() + result_files.append(pae_png) # make pLDDT plot plddt_plot = plot_plddts([np.asarray(x["plddt"]) for x in scores],