Louis BECQUEY

updated automation script

...@@ -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
......