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schwede
openstructure
Commits
b6e9c8c3
Commit
b6e9c8c3
authored
12 years ago
by
Valerio Mariani
Committed by
Bienchen
12 years ago
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Return with an error message if reference structure has no valid
distance to check
parent
c73f4284
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modules/mol/alg/src/lddt.cc
+6
-0
6 additions, 0 deletions
modules/mol/alg/src/lddt.cc
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modules/mol/alg/src/lddt.cc
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View file @
b6e9c8c3
...
...
@@ -301,6 +301,12 @@ int main (int argc, char **argv)
}
LOG_INFO
(
"LDDT INFO FORMAT: Chain1 Residue1 ResNum1 Atom1 Chain2 Residue2 ResNum2 Atom2 ModelDist TargetDist Difference Tolerance Status"
);
// error if the reference structure is empty
if
(
glob_dist_list
.
size
()
==
0
)
{
std
::
cout
<<
"ERROR: No valid distance to check in the reference structure(s). Please check that the first chain of the reference structure(s) contains a peptide."
<<
std
::
endl
;
exit
(
-
1
);
}
// cycles through the models to evaluate
for
(
size_t
i
=
0
;
i
<
files
.
size
();
++
i
)
{
EntityHandle
model
=
load
(
files
[
i
],
profile
);
...
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