Mercurial > repos > guerler > springsuite
comparison spring_model.py @ 39:172398348efd draft
"planemo upload commit 26b4018c88041ee0ca7c2976e0a012015173d7b6-dirty"
author | guerler |
---|---|
date | Fri, 22 Jan 2021 15:50:27 +0000 |
parents | |
children |
comparison
equal
deleted
inserted
replaced
38:80a4b98121b6 | 39:172398348efd |
---|---|
1 #! /usr/bin/env python3 | |
2 import argparse | |
3 from spring_package.Modeller import createModel | |
4 | |
5 | |
6 if __name__ == "__main__": | |
7 parser = argparse.ArgumentParser(description='Create a 3D model from HH-search results.') | |
8 parser.add_argument('-a', '--a_hhr', help='First HHR target file result', required=True) | |
9 parser.add_argument('-b', '--b_hhr', help='Second HHR target file result', required=True) | |
10 parser.add_argument('-i', '--index', help='PDB Database Index file (ffindex)', required=True) | |
11 parser.add_argument('-d', '--database', help='PDB Database files (ffdata)', required=True) | |
12 parser.add_argument('-c', '--cross', help='PDB Cross Reference', required=True) | |
13 parser.add_argument('-o', '--output', help='Output model file', required=True) | |
14 parser.add_argument('-we', '--wenergy', help='Weight Energy term', type=float, default=-0.01, required=False) | |
15 parser.add_argument('-ms', '--minscore', help='Minimum min-Z score threshold', type=float, default=10.0, required=False) | |
16 parser.add_argument('-mt', '--maxtries', help='Maximum number of templates', type=int, default=20, required=False) | |
17 parser.add_argument('-mc', '--maxclashes', help='Maximum fraction of clashes', type=float, default=0.1, required=False) | |
18 parser.add_argument('-sr', '--showtemplate', help='Add reference template to model structure', required=False, default="true") | |
19 args = parser.parse_args() | |
20 createModel(args) |