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bis-aria
ariaec
Commits
48a05e29
Commit
48a05e29
authored
Mar 15, 2019
by
Fabrice Allain
Browse files
fix: solve conflict issue between pdbqual and setup config parameters
parent
a8d66dc6
Changes
2
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aria/conbox/conf/config.ini
View file @
48a05e29
...
...
@@ -36,7 +36,7 @@ default_cutoff: 8.0
;ca_ca:
;cb_cb:
;sc_sc:
bool
[setup]
; ------------------------------ TBL parameters ------------------------------ #
; longrange_hb : True, False [False]
...
...
@@ -209,7 +209,7 @@ prosa_enabled: yes
whatif_executable:
whatif_enabled:
yes
clashlist_executable:
clahlist_enabled:
no
cla
s
hlist_enabled:
no
pickle_output:
no
; --------------------------- Iteration parameters --------------------------- #
; /!\ Parameters below can be formatted as a list if we want different values
...
...
@@ -266,7 +266,6 @@ L:
[pdbqual]
trash_directory:
/tmp
prosa:
False
skip_prefix:
fitted
csh_executable:
csh
...
...
aria/conbox/pdbqual.py
View file @
48a05e29
...
...
@@ -32,15 +32,15 @@ class AriaEcPdbqual(CommandProtocol):
runChecks
(
workingDirectory
=
self
.
settings
.
pdbqual
[
"output_directory"
],
trashDirectory
=
self
.
settings
.
pdbqual
[
"trash_directory"
],
procheckExe
=
self
.
settings
.
main
.
get
(
"procheck_executable"
,
"procheck"
)
,
procheckOnOff
=
1
if
self
.
settings
.
main
.
get
(
"procheck_enabled"
,
"no"
)
in
(
"yes"
,
True
,
"True"
)
else
0
,
whatIfExe
=
self
.
settings
.
main
.
get
(
"whatif_executable"
,
"whatif"
)
,
whatifOnOff
=
1
if
self
.
settings
.
main
.
get
(
"whatif_enabled"
,
"no"
)
in
(
"yes"
,
True
,
"True"
)
else
0
,
clashlistExe
=
self
.
settings
.
main
.
get
(
"clashlist_executable"
,
"clashlist"
)
,
clashlistOnOff
=
1
if
self
.
settings
.
main
.
get
(
"clashlist_enabled"
,
"no"
)
in
(
"yes"
,
True
,
"True"
)
else
0
,
prosaExe
=
self
.
settings
.
main
.
get
(
"prosa_executable"
,
"prosa"
)
,
prosaOnOff
=
1
if
self
.
settings
.
pdbqual
.
get
(
"prosa_enabled"
,
"no"
)
in
(
"yes"
,
True
,
"True"
)
else
0
,
cshExe
=
self
.
settings
.
pdbqual
.
get
(
"csh_executable"
,
"csh"
)
,
procheckExe
=
self
.
settings
.
setup
[
"procheck_executable"
]
,
procheckOnOff
=
1
if
self
.
settings
.
setup
[
"procheck_enabled"
]
in
(
"yes"
,
True
,
"True"
)
else
0
,
whatIfExe
=
self
.
settings
.
setup
[
"whatif_executable"
]
,
whatifOnOff
=
1
if
self
.
settings
.
setup
[
"whatif_enabled"
]
in
(
"yes"
,
True
,
"True"
)
else
0
,
clashlistExe
=
self
.
settings
.
setup
[
"clashlist_executable"
]
,
clashlistOnOff
=
1
if
self
.
settings
.
setup
[
"clashlist_enabled"
]
in
(
"yes"
,
True
,
"True"
)
else
0
,
prosaExe
=
self
.
settings
.
setup
[
"prosa_executable"
]
if
self
.
settings
.
main
[
"prosa_executable"
]
else
""
,
prosaOnOff
=
1
if
self
.
settings
.
setup
[
"prosa_enabled"
]
in
(
"yes"
,
True
,
"True"
)
else
0
,
cshExe
=
self
.
settings
.
pdbqual
[
"csh_executable"
]
,
howManyPdb
=
len
(
self
.
settings
.
pdbqual
[
"infiles"
]),
verbose
=
1
,
fileList
=
self
.
settings
.
pdbqual
[
"infiles"
],
...
...
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