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Chloe Dequeker
INTBuilder
Commits
bc820814
Commit
bc820814
authored
Nov 30, 2016
by
Chloe Dequeker
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modif name TOO_MUCH -> TOO_MANY
parent
f0aba0b6
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2 changed files
with
6 additions
and
6 deletions
+6
-6
INTBuilder.c
src/INTBuilder.c
+5
-5
struct.h
src/struct.h
+1
-1
No files found.
src/INTBuilder.c
View file @
bc820814
...
@@ -208,7 +208,7 @@ void getInterface(struct pdb_values* pdbR, struct pdb_values* pdbL, int confID){
...
@@ -208,7 +208,7 @@ void getInterface(struct pdb_values* pdbR, struct pdb_values* pdbL, int confID){
if
(
dist
<
DIST_FOR_CLASH
){
if
(
dist
<
DIST_FOR_CLASH
){
if
(
!
force
)
if
(
!
force
)
clash
++
;
clash
++
;
if
(
clash
>=
TOO_M
UCH
_CLASHES
){
if
(
clash
>=
TOO_M
ANY
_CLASHES
){
break
;
break
;
}
}
continue
;
continue
;
...
@@ -224,22 +224,22 @@ void getInterface(struct pdb_values* pdbR, struct pdb_values* pdbL, int confID){
...
@@ -224,22 +224,22 @@ void getInterface(struct pdb_values* pdbR, struct pdb_values* pdbL, int confID){
break
;
break
;
}
}
}
}
if
(
clash
>=
TOO_M
UCH
_CLASHES
){
if
(
clash
>=
TOO_M
ANY
_CLASHES
){
break
;
break
;
}
}
}
}
if
(
clash
>=
TOO_M
UCH
_CLASHES
){
if
(
clash
>=
TOO_M
ANY
_CLASHES
){
break
;
break
;
}
}
}
}
if
(
clash
>=
TOO_M
UCH
_CLASHES
){
if
(
clash
>=
TOO_M
ANY
_CLASHES
){
break
;
break
;
}
}
}
}
/* If the amount of clashes is still ok */
/* If the amount of clashes is still ok */
if
(
clash
<
TOO_M
UCH
_CLASHES
){
if
(
clash
<
TOO_M
ANY
_CLASHES
){
/* Output the ligand's interface */
/* Output the ligand's interface */
fprintf
(
outputFile_lig
,
"%d "
,
confID
);
fprintf
(
outputFile_lig
,
"%d "
,
confID
);
write_candidate
(
t_candidateL
,
nbCandL
,
outputFile_lig
);
write_candidate
(
t_candidateL
,
nbCandL
,
outputFile_lig
);
...
...
src/struct.h
View file @
bc820814
...
@@ -11,7 +11,7 @@
...
@@ -11,7 +11,7 @@
#define COEF_DEGREE_TO_RADIAN 0.017453293
/* Coefficient to convert degrees to radians */
#define COEF_DEGREE_TO_RADIAN 0.017453293
/* Coefficient to convert degrees to radians */
#define NB_MAX_ATOM_PER_RES 100
/* No residue has more atoms than that */
#define NB_MAX_ATOM_PER_RES 100
/* No residue has more atoms than that */
#define TOO_M
UCH
_CLASHES 20
/* If not forcing, program will skip conformation after
#define TOO_M
ANY
_CLASHES 20
/* If not forcing, program will skip conformation after
* this number of clashes */
* this number of clashes */
#define DIST_FOR_CONTACT 6
/* Distance under which we consider
#define DIST_FOR_CONTACT 6
/* Distance under which we consider
* two residues are in contact */
* two residues are in contact */
...
...
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