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Chloe Dequeker
INTBuilder
Commits
2cf53283
Commit
2cf53283
authored
Oct 14, 2016
by
Chloe Dequeker
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add .h to INTBuilder
parent
e2059e19
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2 changed files
with
29 additions
and
1 deletions
+29
-1
INTBuilder.c
src/INTBuilder.c
+17
-1
INTBuilder.h
src/INTBuilder.h
+12
-0
No files found.
src/INTBuilder.c
View file @
2cf53283
...
...
@@ -7,6 +7,7 @@
#include "allocate.h"
#include "rotation.h"
#include "param.h"
#include "INTBuilder.h"
...
...
@@ -402,6 +403,21 @@ struct pdb_values* readPDB(char* protein) {
return
pdb_prot
;
}
void
removeSpace
(
char
*
string
){
char
*
i
=
string
;
char
*
j
=
string
;
if
(
*
j
!=
'\0'
){
while
(
*
j
!=
0
){
*
i
=
*
j
++
;
if
(
*
i
!=
' '
){
i
++
;
}
}
*
i
=
0
;
}
}
void
writePDB
(
struct
pdb_values
*
pdb
,
char
*
protName
){
int
i
=
0
,
j
=
0
;
char
buf
[
500
];
...
...
@@ -463,7 +479,7 @@ int main(int argc, char** argv){
}
freePDB
(
newPDB
);
}
else
{
for
(
i
=
0
;
i
<
dock_res
->
nbConf
;
i
++
){
for
(
i
=
1
;
i
<
dock_res
->
nbConf
;
i
++
){
// For all conformations
dalpha
=
dock_res
->
alpha
[
i
]
-
alpha
;
dbeta
=
dock_res
->
beta
[
i
]
-
beta
;
...
...
src/INTBuilder.h
0 → 100644
View file @
2cf53283
#ifndef INTB_HEADER
#define INTB_HEADER
void
getCandidatesForP1
(
struct
pdb_values
*
pdb2
,
struct
residue
**
t_candid1
,
struct
residue
**
t_candid2
,
int
*
nbCand1
,
int
*
nbCand2
);
void
getInterface
(
struct
pdb_values
*
pdbR
,
struct
pdb_values
*
pdbL
,
int
numConf
);
struct
docking_results
*
getDataForComplex
();
struct
pdb_values
*
readPDB
(
char
*
protein
)
;
void
removeSpace
(
char
*
string
);
void
writePDB
(
struct
pdb_values
*
pdb
,
char
*
protName
);
int
main
(
int
argc
,
char
**
argv
);
#endif
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