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mrdna
Commits
11161c71
Commit
11161c71
authored
5 years ago
by
cmaffeo2
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mrdna script now recognizes list files for model creation
parent
c6e082b9
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11161c71
...
@@ -100,6 +100,8 @@ def main():
...
@@ -100,6 +100,8 @@ def main():
from
mrdna.readers
import
read_vhelix
as
read_model
from
mrdna.readers
import
read_vhelix
as
read_model
elif
extension
==
'
.pdb
'
:
elif
extension
==
'
.pdb
'
:
from
mrdna.readers
import
read_atomic_pdb
as
read_model
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
:
else
:
raise
Exception
(
"
Unrecognized input file
'
{}
'"
.
format
(
infile
))
raise
Exception
(
"
Unrecognized input file
'
{}
'"
.
format
(
infile
))
model
=
read_model
(
str
(
infile
),
debye_length
=
args
.
debye_length
,
temperature
=
args
.
temperature
)
model
=
read_model
(
str
(
infile
),
debye_length
=
args
.
debye_length
,
temperature
=
args
.
temperature
)
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