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open
dssp
Commits
6274ee73
Unverified
Commit
6274ee73
authored
Jun 06, 2023
by
Maarten L. Hekkelman
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Merge branch 'develop' of github.com:PDB-REDO/dssp into develop
parents
05c339e9
4112306a
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2 changed files
with
102 additions
and
57 deletions
+102
-57
src/dssp.cpp
+100
-47
src/mkdssp.cpp
+2
-10
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src/dssp.cpp
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6274ee73
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src/mkdssp.cpp
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6274ee73
...
@@ -93,16 +93,10 @@ int d_main(int argc, const char *argv[])
...
@@ -93,16 +93,10 @@ int d_main(int argc, const char *argv[])
exit
(
0
);
exit
(
0
);
}
}
if
(
config
.
has
(
"help"
))
if
(
config
.
has
(
"help"
)
or
config
.
operands
().
empty
()
)
{
{
std
::
cerr
<<
config
<<
std
::
endl
;
std
::
cerr
<<
config
<<
std
::
endl
;
exit
(
0
);
exit
(
config
.
has
(
"help"
)
?
0
:
1
);
}
if
(
config
.
operands
().
empty
())
{
std
::
cerr
<<
"Input file not specified"
<<
std
::
endl
;
exit
(
1
);
}
}
if
(
config
.
has
(
"output-format"
)
and
config
.
get
<
std
::
string
>
(
"output-format"
)
!=
"dssp"
and
config
.
get
<
std
::
string
>
(
"output-format"
)
!=
"mmcif"
)
if
(
config
.
has
(
"output-format"
)
and
config
.
get
<
std
::
string
>
(
"output-format"
)
!=
"dssp"
and
config
.
get
<
std
::
string
>
(
"output-format"
)
!=
"mmcif"
)
...
@@ -130,8 +124,6 @@ int d_main(int argc, const char *argv[])
...
@@ -130,8 +124,6 @@ int d_main(int argc, const char *argv[])
}
}
cif
::
file
f
=
cif
::
pdb
::
read
(
in
);
cif
::
file
f
=
cif
::
pdb
::
read
(
in
);
if
(
cif
::
VERBOSE
>
0
and
not
f
.
is_valid
())
std
::
cerr
<<
"Warning, the input file is not valid. Run with --verbose to see why."
<<
std
::
endl
;
// --------------------------------------------------------------------
// --------------------------------------------------------------------
...
...
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