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... | @@ -2816,10 +2816,6 @@ if __name__ == "__main__": | ... | @@ -2816,10 +2816,6 @@ if __name__ == "__main__": |
2816 | # If --all was passed, all the structures are kept. | 2816 | # If --all was passed, all the structures are kept. |
2817 | # Fills pp.update with Chain() objects. | 2817 | # Fills pp.update with Chain() objects. |
2818 | pp.list_available_mappings() | 2818 | pp.list_available_mappings() |
2819 | - for c in pp.update: | ||
2820 | - if "6ydw" in c.chain_label: | ||
2821 | - print(c) | ||
2822 | - exit(1) | ||
2823 | 2819 | ||
2824 | # =========================================================================== | 2820 | # =========================================================================== |
2825 | # 3D information | 2821 | # 3D information | ... | ... |
... | @@ -4,7 +4,7 @@ cd /home/lbecquey/Projects/RNANet | ... | @@ -4,7 +4,7 @@ cd /home/lbecquey/Projects/RNANet |
4 | rm -rf latest_run.log errors.txt | 4 | rm -rf latest_run.log errors.txt |
5 | 5 | ||
6 | # Run RNANet | 6 | # Run RNANet |
7 | -bash -c 'time python3.8 ./RNAnet.py --3d-folder /home/lbecquey/Data/RNA/3D/ --seq-folder /home/lbecquey/Data/RNA/sequences/ --sina -r 20.0 --extract -s --archive' > latest_run.log 2>&1 | 7 | +bash -c 'time python3.8 ./RNAnet.py --3d-folder /home/lbecquey/Data/RNA/3D/ --seq-folder /home/lbecquey/Data/RNA/sequences/ -r 20.0 --redundant --sina --extract -s --stats-opts="--wadley --distance-matrices" --archive' > latest_run.log 2>&1 |
8 | echo 'Compressing RNANet.db.gz...' >> latest_run.log | 8 | echo 'Compressing RNANet.db.gz...' >> latest_run.log |
9 | touch results/RNANet.db # update last modification date | 9 | touch results/RNANet.db # update last modification date |
10 | gzip -k /home/lbecquey/Projects/RNANet/results/RNANet.db # compress it | 10 | gzip -k /home/lbecquey/Projects/RNANet/results/RNANet.db # compress it | ... | ... |
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