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DLA-Ranker
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Commits
146c1548
Commit
146c1548
authored
Jun 09, 2022
by
Yasser Mohseni
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scr.py
Representation/scr.py
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Representation/scr.py
View file @
146c1548
...
...
@@ -181,11 +181,11 @@ def rimcoresup(rsa_rec,rsa_lig,rsa_complex):
def
get_scr
(
rec
,
lig
,
com
,
name
):
if
tl
.
USE_FREESASA
:
cmdcompl
=
tl
.
NACCESS
_PATH
+
' --format=rsa '
+
com
+
' > '
+
path
.
basename
(
com
.
replace
(
'pdb'
,
'rsa'
))
cmdcompl
=
tl
.
FreeSASA
_PATH
+
' --format=rsa '
+
com
+
' > '
+
path
.
basename
(
com
.
replace
(
'pdb'
,
'rsa'
))
os
.
system
(
cmdcompl
)
cmdrec
=
tl
.
NACCESS
_PATH
+
' --format=rsa '
+
rec
+
' > '
+
path
.
basename
(
rec
.
replace
(
'pdb'
,
'rsa'
))
cmdrec
=
tl
.
FreeSASA
_PATH
+
' --format=rsa '
+
rec
+
' > '
+
path
.
basename
(
rec
.
replace
(
'pdb'
,
'rsa'
))
os
.
system
(
cmdrec
)
cmdlig
=
tl
.
NACCESS
_PATH
+
' --format=rsa '
+
lig
+
' > '
+
path
.
basename
(
lig
.
replace
(
'pdb'
,
'rsa'
))
cmdlig
=
tl
.
FreeSASA
_PATH
+
' --format=rsa '
+
lig
+
' > '
+
path
.
basename
(
lig
.
replace
(
'pdb'
,
'rsa'
))
os
.
system
(
cmdlig
)
else
:
cmdcompl
=
tl
.
NACCESS_PATH
+
' '
+
com
...
...
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