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Louis BECQUEY
/
RNANet
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Authored by
Louis BECQUEY
2020-10-01 19:03:55 +0200
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0ec3d1cf3afbba39649bec994bb8cb746a9da498
0ec3d1cf
1 parent
ee48bb47
archive/ folder
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2 changed files
with
17 additions
and
24 deletions
RNAnet.py
scripts/automate.sh
RNAnet.py
View file @
0ec3d1c
...
...
@@ -1510,13 +1510,9 @@ class Pipeline:
setproctitle
(
"RNANet.py output_results()"
)
time_str
=
time
.
strftime
(
"
%
Y
%
m
%
d"
)
# Prepare folders:
if
not
os
.
path
.
isdir
(
path_to_3D_data
+
"datapoints/"
):
os
.
makedirs
(
path_to_3D_data
+
"datapoints/"
)
if
not
os
.
path
.
isdir
(
runDir
+
"/results/archive/"
):
os
.
makedirs
(
runDir
+
"/results/archive/"
)
# Save to by-chain CSV files
p
=
Pool
(
initializer
=
init_worker
,
initargs
=
(
tqdm
.
get_lock
(),),
processes
=
3
)
...
...
@@ -1551,28 +1547,20 @@ class Pipeline:
"--seq-folder"
,
path_to_seq_data
,
"-r"
,
str
(
self
.
CRYSTAL_RES
)])
# Save additional informations
os
.
makedirs
(
runDir
+
"/archive"
,
exist_ok
=
True
)
with
sqlite3
.
connect
(
runDir
+
"/results/RNANet.db"
)
as
conn
:
pd
.
read_sql_query
(
"""SELECT rfam_acc, description, idty_percent, nb_homologs, nb_3d_chains, nb_total_homol, max_len, comput_time, comput_peak_mem
FROM family ORDER BY nb_3d_chains DESC;"""
,
conn
)
.
to_csv
(
runDir
+
f
"/
archive/families_{time_str}
.csv"
,
float_format
=
"
%.2
f"
,
index
=
False
)
conn
)
.
to_csv
(
runDir
+
f
"/
results/families
.csv"
,
float_format
=
"
%.2
f"
,
index
=
False
)
pd
.
read_sql_query
(
"""SELECT eq_class, structure_id, chain_name, pdb_start, pdb_end, rfam_acc, inferred, date, exp_method, resolution, issue
FROM structure
JOIN chain ON structure.pdb_id = chain.structure_id
ORDER BY structure_id, chain_name, rfam_acc ASC;"""
,
conn
)
.
to_csv
(
runDir
+
f
"/
archive/summary_{time_str}
.csv"
,
float_format
=
"
%.2
f"
,
index
=
False
)
conn
)
.
to_csv
(
runDir
+
f
"/
results/summary
.csv"
,
float_format
=
"
%.2
f"
,
index
=
False
)
# Update shortcuts to latest versions
subprocess
.
run
([
"rm"
,
"-f"
,
runDir
+
"/results/RNANET_datapoints_latest.tar.gz"
,
runDir
+
"/results/summary_latest.csv"
,
runDir
+
"/results/families_latest.csv"
])
if
self
.
ARCHIVE
:
os
.
makedirs
(
runDir
+
"/archive"
,
exist_ok
=
True
)
subprocess
.
run
([
"tar"
,
"-C"
,
path_to_3D_data
+
"/datapoints"
,
"-czf"
,
runDir
+
f
"/archive/RNANET_datapoints_{time_str}.tar.gz"
,
"."
])
subprocess
.
run
([
'ln'
,
"-s"
,
runDir
+
f
"/archive/RNANET_datapoints_{time_str}.tar.gz"
,
runDir
+
"/results/RNANET_datapoints_latest.tar.gz"
])
subprocess
.
run
([
'ln'
,
"-s"
,
runDir
+
f
"/archive/summary_{time_str}.csv"
,
runDir
+
"/results/summary_latest.csv"
])
subprocess
.
run
([
'ln'
,
"-s"
,
runDir
+
f
"/archive/families_{time_str}.csv"
,
runDir
+
"/results/families_latest.csv"
])
runDir
+
f
"/archive/RNANET_datapoints_{time.strftime('
%
Y
%
m
%
d')}.tar.gz"
,
"."
])
def
sanitize_database
(
self
):
"""Searches for issues in the database and correct them"""
...
...
scripts/automate.sh
View file @
0ec3d1c
# This is a script supposed to be run periodically as a cron job
cd
/home/lbecquey/Projects/RNANet
rm -f latest_run.log errors.txt
rm -
r
f latest_run.log errors.txt
# Run RNANet
bash -c
'time ./RNAnet.py --3d-folder /home/lbecquey/Data/RNA/3D/ --seq-folder /home/lbecquey/Data/RNA/sequences/ -r 20.0 -s --archive'
&> latest_run.log
touch results/RNANet.db
# update last modification date
rm -f results/RNANet.db-wal results/RNANet.db-shm
# SQLite temporary files
touch results/RNANet.db
# update last modification date
gzip -k /home/lbecquey/Projects/RNANet/results/RNANet.db
# compress it
rm -f results/RNANet.db-wal results/RNANet.db-shm
# SQLite temporary files
# Compress
rm -f /home/lbecquey/Projects/RNANet/results/RNANet.db.gz
echo
'Deleted results/RNANet.db.gz (if existed)'
>> latest_run.log
gzip -k /home/lbecquey/Projects/RNANet/results/RNANet.db
echo
'Recreated it.'
>> latest_run.log
# Save the latest results
export
DATE
=
`
printf
'%(%Y%m%d)T'
`
cp /home/lbecquey/Projects/RNANet/results/summary.csv /home/lbecquey/Projects/RNANet/archive/summary_latest.csv
cp /home/lbecquey/Projects/RNANet/results/summary.csv /home/lbecquey/Projects/RNANet/archive/summary_
$DATE
.csv
cp /home/lbecquey/Projects/RNANet/results/families.csv /home/lbecquey/Projects/RNANet/archive/families_latest.csv
cp /home/lbecquey/Projects/RNANet/results/families.csv /home/lbecquey/Projects/RNANet/archive/families_
$DATE
.csv
cp /home/lbecquey/Projects/RNANet/results/frequencies.csv /home/lbecquey/Projects/RNANet/archive/frequencies_latest.csv
cp /home/lbecquey/Projects/RNANet/results/pair_types.csv /home/lbecquey/Projects/RNANet/archive/pair_types_latest.csv
mv /home/lbecquey/Projects/RNANet/results/RNANet.db.gz /home/lbecquey/Projects/RNANet/archive/
# Sync in Seafile
seaf-cli start >> latest_run.log 2>&1
...
...
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