Mercurial > repos > guerler > springsuite
annotate spring_model_line.py @ 17:c790d25086dc draft
"planemo upload commit b0ede77caf410ab69043d33a44e190054024d340-dirty"
author | guerler |
---|---|
date | Wed, 28 Oct 2020 05:11:56 +0000 |
parents | |
children |
rev | line source |
---|---|
17
c790d25086dc
"planemo upload commit b0ede77caf410ab69043d33a44e190054024d340-dirty"
guerler
parents:
diff
changeset
|
1 #! /usr/bin/env python3 |
c790d25086dc
"planemo upload commit b0ede77caf410ab69043d33a44e190054024d340-dirty"
guerler
parents:
diff
changeset
|
2 import argparse |
c790d25086dc
"planemo upload commit b0ede77caf410ab69043d33a44e190054024d340-dirty"
guerler
parents:
diff
changeset
|
3 import os |
c790d25086dc
"planemo upload commit b0ede77caf410ab69043d33a44e190054024d340-dirty"
guerler
parents:
diff
changeset
|
4 |
c790d25086dc
"planemo upload commit b0ede77caf410ab69043d33a44e190054024d340-dirty"
guerler
parents:
diff
changeset
|
5 def main(args): |
c790d25086dc
"planemo upload commit b0ede77caf410ab69043d33a44e190054024d340-dirty"
guerler
parents:
diff
changeset
|
6 os.system("mkdir -p temp") |
c790d25086dc
"planemo upload commit b0ede77caf410ab69043d33a44e190054024d340-dirty"
guerler
parents:
diff
changeset
|
7 line = args.line.split() |
c790d25086dc
"planemo upload commit b0ede77caf410ab69043d33a44e190054024d340-dirty"
guerler
parents:
diff
changeset
|
8 |
c790d25086dc
"planemo upload commit b0ede77caf410ab69043d33a44e190054024d340-dirty"
guerler
parents:
diff
changeset
|
9 os.system("./spring_model.py -ar ../../spring.db/covid_hhr/nsp13.fasta.txt -ac B -at ../../spring.db/files/6jyt.pdb -br ../../spring.db/human_hhr/sp\|P51530\|DNA2_HUMAN.fasta.txt -bc A -bt ../../spring.db/files/5ean.pdb -ts ../../spring.db/files/6jyt.pdb -tc B") |
c790d25086dc
"planemo upload commit b0ede77caf410ab69043d33a44e190054024d340-dirty"
guerler
parents:
diff
changeset
|
10 |
c790d25086dc
"planemo upload commit b0ede77caf410ab69043d33a44e190054024d340-dirty"
guerler
parents:
diff
changeset
|
11 if __name__ == "__main__": |
c790d25086dc
"planemo upload commit b0ede77caf410ab69043d33a44e190054024d340-dirty"
guerler
parents:
diff
changeset
|
12 parser = argparse.ArgumentParser(description='Create a 3D model from HH-search results (from single line parameter).') |
c790d25086dc
"planemo upload commit b0ede77caf410ab69043d33a44e190054024d340-dirty"
guerler
parents:
diff
changeset
|
13 parser.add_argument('-l', '--line', help='Space separated single-line parameter (Query Target Z-min QueryTemplate TargetTemplate ComplexTemplate', required=True) |
c790d25086dc
"planemo upload commit b0ede77caf410ab69043d33a44e190054024d340-dirty"
guerler
parents:
diff
changeset
|
14 args = parser.parse_args() |
c790d25086dc
"planemo upload commit b0ede77caf410ab69043d33a44e190054024d340-dirty"
guerler
parents:
diff
changeset
|
15 main(args) |
c790d25086dc
"planemo upload commit b0ede77caf410ab69043d33a44e190054024d340-dirty"
guerler
parents:
diff
changeset
|
16 |