int
main( int argc, char *argv[] )
{
//BOOL bUseStartup, bGotCmd;
BOOL bGotCmd;
BLOCK bCmd;
//char c;
RESULTt rResult;
setbuf(stdout,NULL);
strcpy( GsProgramName, argv[0] );
BasicsInitialize();
GbGraphicalEnvironment = FALSE;
ParseArguments( argc, argv );
ParseInit( &rResult );
bGotCmd = FALSE;
bCmd = bBlockCreate();
while ( rResult.iCommand != CQUIT ) {
char *line=NULL;
char *cp;
line = tl_getline("> ");
cp = stripwhite (line);
if (*cp){
gl_histadd(cp);
for(; *cp; cp++)
(void) bBlockAddChar( bCmd, *cp );
if ( bBlockAddChar( bCmd, '\n' ) ) {
ParseBlock( bCmd, &rResult );
BlockEmpty( bCmd );
}
}
} while ( rResult.iCommand != CQUIT );
ParseShutdown();
LISTUNFREEDMEMORYTOLOGFILE();
exit(0);
}
main()
{
VARARRAY vaTest;
int i;
BasicsInitialize();
vaTest = vaVarArrayCreate(sizeof(int));
i=1;
VarArrayInsertBefore( vaTest, 0, &i );
i=3;
VarArrayInsertBefore( vaTest, 1, &i );
i=2;
VarArrayInsertBefore( vaTest, 1, &i );
i = 0;
VarArrayInsertBefore( vaTest, 0, &i );
for ( i=0; i<iVarArrayElementCount(vaTest); i++ ) {
printf( "varArray[%d] = %d\n", i, *PVAI(vaTest,int,i) );
}
}
void load_force_fields( )
{
/************************/
/* For LIGAND leaprc.gaff is used ("ff" force field).
To specify force field for PROTEIN a link is used. For example:
cd $AMBERHOME/dat/leap/cmd
ln -s leaprc.ff03 leaprc.
Then leaprc.ff03 will become the default.*/
char *flibLig = "leaprc.gaff";
char *system_env;
char tmpchar[NB_OF_CHAR];
int i;
char *prep = "/dat/leap/prep";
char *lib = "/dat/leap/lib";
char *parm= "/dat/leap/parm";
char *cmd= "/dat/leap/cmd";
char *lib_path[NB_OF_LIB] = {prep,lib,parm,cmd};
BasicsInitialize();
system_env = (char *) getenv("AMBERHOME");
if (system_env != NULL)
{
for(i = 0; i < NB_OF_LIB ; i++)
{
tmpchar[0] = '\0';
strcpy(tmpchar, system_env);
strcat(tmpchar, lib_path[i]);
AMBER_addPath(tmpchar);
}
}
AMBER_add_source(flibLig);
ParseInit(&rResult);
}
