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schwede
openstructure
Commits
e1d9d986
Commit
e1d9d986
authored
2 years ago
by
Studer Gabriel
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compare-structures: make model/reference optional arguments
same behaviour as old compare-structures
parent
0c8a8609
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e1d9d986
"""
Evaluate model against reference
Example: ost compare-structures-new model.pdb reference.cif
Example: ost compare-structures-new
-m
model.pdb
-r
reference.cif
Loads the structures and performs basic cleanup:
...
...
@@ -41,7 +41,8 @@ Each score is opt-in and can be enabled with optional arguments.
Example to compute local and per-residue lDDT values as well as QS-score:
ost compare-structures-new model.pdb reference.cif --lddt --local-lddt --qs-score
ost compare-structures-new -m model.pdb -r reference.cif --lddt --local-lddt \
--qs-score
"""
import argparse
...
...
@@ -60,11 +61,17 @@ def _ParseArgs():
prog = "ost compare-structures-new")
parser.add_argument(
"model",
"-m",
"--model",
dest="model",
required=True,
help=("Path to model file."))
parser.add_argument(
"reference",
"-r",
"--reference",
dest="reference",
required=True,
help=("Path to reference file."))
parser.add_argument(
...
...
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