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tbgl
tools
mrdna
Commits
11161c71
Commit
11161c71
authored
Dec 06, 2019
by
cmaffeo2
Browse files
mrdna script now recognizes list files for model creation
parent
c6e082b9
Changes
1
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Inline
Side-by-side
bin/mrdna
View file @
11161c71
...
...
@@ -100,6 +100,8 @@ def main():
from
mrdna
.
readers
import
read_vhelix
as
read_model
elif
extension
==
'.pdb'
:
from
mrdna
.
readers
import
read_atomic_pdb
as
read_model
elif
extension
==
'.dat'
or
extension
==
'.txt'
:
from
mrdna
.
readers
import
read_list
as
read_model
else
:
raise
Exception
(
"Unrecognized input file '{}'"
.
format
(
infile
))
model
=
read_model
(
str
(
infile
),
debye_length
=
args
.
debye_length
,
temperature
=
args
.
temperature
)
...
...
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