Louis BECQUEY

updated automation script

......@@ -2816,10 +2816,6 @@ if __name__ == "__main__":
# If --all was passed, all the structures are kept.
# Fills pp.update with Chain() objects.
pp.list_available_mappings()
for c in pp.update:
if "6ydw" in c.chain_label:
print(c)
exit(1)
# ===========================================================================
# 3D information
......
......@@ -4,7 +4,7 @@ cd /home/lbecquey/Projects/RNANet
rm -rf latest_run.log errors.txt
# Run RNANet
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
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
echo 'Compressing RNANet.db.gz...' >> latest_run.log
touch results/RNANet.db # update last modification date
gzip -k /home/lbecquey/Projects/RNANet/results/RNANet.db # compress it
......