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Martin Kurečka
Plumed AlphaFold
Commits
f519dacf
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Commit
f519dacf
authored
11 years ago
by
Toni G
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dcd , pdb now c++
parent
9643b46e
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Changes
4
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4 changed files
src/molfile/Makefile
+1
-1
1 addition, 1 deletion
src/molfile/Makefile
src/molfile/dcdplugin.cpp
+0
-0
0 additions, 0 deletions
src/molfile/dcdplugin.cpp
src/molfile/import.sh
+2
-2
2 additions, 2 deletions
src/molfile/import.sh
src/molfile/pdbplugin.cpp
+1
-1
1 addition, 1 deletion
src/molfile/pdbplugin.cpp
with
4 additions
and
4 deletions
src/molfile/Makefile
+
1
−
1
View file @
f519dacf
...
@@ -17,7 +17,7 @@ OBJ=dcdplugin.o gromacsplugin.o pdbplugin.o
...
@@ -17,7 +17,7 @@ OBJ=dcdplugin.o gromacsplugin.o pdbplugin.o
obj
:
$(OBJ)
obj
:
$(OBJ)
# Local rules for molfile plugins - replacement is delayed
# Local rules for molfile plugins - replacement is delayed
CPPFLAGS
+=
-DSTATIC_PLUGIN
-DVMDPLUGIN
=
molfile_
$(
patsubst %.o,%,
$@
)
-fPIC
CPPFLAGS
+=
-DSTATIC_PLUGIN
-DVMDPLUGIN
=
molfile_
$(
patsubst %.o,%,
$@
)
# -fpermissive works around a missing cast in pdbplugin
# -fpermissive works around a missing cast in pdbplugin
# char *newstr=realloc(pdb->meta->remarks, newlen + 1);
# char *newstr=realloc(pdb->meta->remarks, newlen + 1);
...
...
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src/molfile/dcdplugin.c
→
src/molfile/dcdplugin.c
pp
+
0
−
0
View file @
f519dacf
File moved
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src/molfile/import.sh
+
2
−
2
View file @
f519dacf
...
@@ -55,9 +55,9 @@ done
...
@@ -55,9 +55,9 @@ done
mycp
$PD
/molfile_plugin/LICENSE COPYRIGHT
mycp
$PD
/molfile_plugin/LICENSE COPYRIGHT
# List of "known-good" plugins. Some renaming is necessary
# List of "known-good" plugins. Some renaming is necessary
mycp_wrap
$IFDEF
$PD
/molfile_plugin/src/dcdplugin.c dcdplugin.c
mycp_wrap
$IFDEF
$PD
/molfile_plugin/src/dcdplugin.c dcdplugin.c
pp
mycp_wrap
$IFDEF
$PD
/molfile_plugin/src/gromacsplugin.C gromacsplugin.cpp
mycp_wrap
$IFDEF
$PD
/molfile_plugin/src/gromacsplugin.C gromacsplugin.cpp
mycp_wrap
$IFDEF
$PD
/molfile_plugin/src/pdbplugin.c pdbplugin.c
mycp_wrap
$IFDEF
$PD
/molfile_plugin/src/pdbplugin.c pdbplugin.c
pp
# Generate static header
# Generate static header
...
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src/molfile/pdbplugin.c
→
src/molfile/pdbplugin.c
pp
+
1
−
1
View file @
f519dacf
...
@@ -115,7 +115,7 @@ static void *open_pdb_read(const char *filepath, const char *filetype,
...
@@ -115,7 +115,7 @@ static void *open_pdb_read(const char *filepath, const char *filetype,
int
len
=
strlen
(
pdbstr
);
int
len
=
strlen
(
pdbstr
);
int
newlen
=
len
+
pdb
->
meta
->
remarklen
;
int
newlen
=
len
+
pdb
->
meta
->
remarklen
;
char
*
newstr
=
realloc
(
pdb
->
meta
->
remarks
,
newlen
+
1
);
char
*
newstr
=
(
char
*
)
realloc
(
pdb
->
meta
->
remarks
,
newlen
+
1
);
if
(
newstr
!=
NULL
)
{
if
(
newstr
!=
NULL
)
{
pdb
->
meta
->
remarks
=
newstr
;
pdb
->
meta
->
remarks
=
newstr
;
pdb
->
meta
->
remarks
[
pdb
->
meta
->
remarklen
]
=
'\0'
;
pdb
->
meta
->
remarks
[
pdb
->
meta
->
remarklen
]
=
'\0'
;
...
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