int main(){
int sch = 99;
//input();
while( sch != 0 ){
printf( "\nPlease select an algorithm:\n" );
printf( "(1)FCFS: First come first serve\n" );
printf( "(2)SJF : Short job first serve\n" );
printf( "(3)HRF : High reflection first serve\n" );
printf( "(4)Timeslice: Time slice serve\n" );
printf( "(5)MRLA: Multi relation xxxx queue serve\n" );
printf( "(0)Quit\n" );
scanf( "%d", &sch );
switch( sch ){
case 1:
FCFS();
break;
case 2:
SJF();
break;
case 3:
HRF();
break;
case 4:
Timeslice();
break;
case 5:
MRLA();
break;
case 0:
printf( "Quited program\n" );
break;
}
}
_keygo();
return 0;
}
MOLECULE_T *my_fd_helix( STRING_T * *helix_type, STRING_T * *seq, STRING_T * *acid_type )
{
MOLECULE_T *m;
HASH_T *ade_r = NULL;
HASH_T *ade_phi = NULL;
HASH_T *ade_zz = NULL;
HASH_T *gua_r = NULL;
HASH_T *gua_phi = NULL;
HASH_T *gua_zz = NULL;
HASH_T *thy_r = NULL;
HASH_T *thy_phi = NULL;
HASH_T *thy_zz = NULL;
HASH_T *ura_r = NULL;
HASH_T *ura_phi = NULL;
HASH_T *ura_zz = NULL;
HASH_T *cyt_r = NULL;
HASH_T *cyt_phi = NULL;
HASH_T *cyt_zz = NULL;
REAL_T temp_r, temp_phi, temp_zz;
REAL_T x, y, z, yyr, xrad;
REAL_T current_height, current_rotation;
REAL_T height_increment, rotation_increment;
HASH_T *hxht = NULL;
HASH_T *hxrep = NULL;
STRING_T *tempname = NULL, *cseq = NULL, *fullseq = NULL, *buffer = NULL, *restype = NULL;
STRING_T *temp = NULL, *amberhome = NULL;
STRING_T *resout = NULL, *strname = NULL;
INT_T nres, nresh, i, hxmul, count, chain, begin, end;
FILE_T *infile, *outfile;
STRING_T *__st0001__ = NULL;
CURHASH_T __cht0001__;
CURHASH_T __cht0002__;
CURHASH_T __cht0003__;
CURHASH_T __cht0004__;
CURHASH_T __cht0005__;
HRF( &hxht, "arna", 3 ) = 2.810000E+00;HRF( &hxht, "aprna", 3 ) = 3.000000E+00;HRF( &hxht, "lbdna", 3 ) = 3.380000E+00;
HRF( &hxht, "abdna", 3 ) = 3.380000E+00;HRF( &hxht, "sbdna", 3 ) = - 3.380000E+00;HRF( &hxht, "adna", 3 ) = 2.560000E+00;
HRF( &hxrep, "arna", 3 ) = 3.270000E+01;HRF( &hxrep, "aprna", 3 ) = 3.000000E+01;HRF( &hxrep, "lbdna", 3 ) = 3.600000E+01;
HRF( &hxrep, "abdna", 3 ) = 3.600000E+01;HRF( &hxrep, "sbdna", 3 ) = 3.600000E+01;HRF( &hxrep, "adna", 3 ) = 3.270000E+01;
NAB_strcpy( &temp, wc_complement( seq, STEMP( __st0001__, NAB_strcat( *acid_type, "amber94.rlb" ) ), acid_type ) );
NAB_strcpy( &cseq, "" );
for( i = length( temp );i >= 1;i -- ){
NAB_strcpy( &cseq, NAB_strcat( cseq, substr( temp, i, 1 ) ) );
}
NAB_strcpy( &fullseq, NAB_strcat( *seq, cseq ) );
nresh = length( *seq );
nres = length( fullseq );
if( !( NAB_strcpy( &amberhome, getenv( "AMBERHOME" ) ) ) ){
fprintf( stderr, "AMBERHOME not defined.\n" );
exit( 1 );
}
NAB_strcpy( &temp, NAB_strcat( amberhome, NAB_strcat( "/dat/fd_data/", NAB_strcat( *helix_type, ".dat" ) ) ) );
infile = fopen( temp, "r" );
if( infile == NULL ){
fprintf( stderr, "Unable to open data file %s; exiting\n", temp );
exit( 1 );
}
outfile = fopen( "nab_tmp.pdb", "w" );
while( NAB_strcpy( &buffer, NAB_getline( infile ) ) ){
sscanf( buffer, "%s %lf %lf %lf %s", NAB_readstring( &tempname ), &temp_r, &temp_phi, &temp_zz, NAB_readstring( &restype ) );
if( ( EQ( restype, "A" ) ) || ( EQ( restype, "a" ) ) ){
HRF( &ade_r, tempname, 3 ) = temp_r;
HRF( &ade_phi, tempname, 3 ) = temp_phi;
HRF( &ade_zz, tempname, 3 ) = temp_zz;
}
else if( ( EQ( restype, "G" ) ) || ( EQ( restype, "g" ) ) ){
HRF( &gua_r, tempname, 3 ) = temp_r;
HRF( &gua_phi, tempname, 3 ) = temp_phi;
HRF( &gua_zz, tempname, 3 ) = temp_zz;
}
else if( ( EQ( restype, "T" ) ) || ( EQ( restype, "t" ) ) ){
HRF( &thy_r, tempname, 3 ) = temp_r;
HRF( &thy_phi, tempname, 3 ) = temp_phi;
HRF( &thy_zz, tempname, 3 ) = temp_zz;
}
else if( ( EQ( restype, "U" ) ) || ( EQ( restype, "u" ) ) ){
HRF( &ura_r, tempname, 3 ) = temp_r;
HRF( &ura_phi, tempname, 3 ) = temp_phi;
HRF( &ura_zz, tempname, 3 ) = temp_zz;
}
else if( ( EQ( restype, "C" ) ) || ( EQ( restype, "c" ) ) ){
HRF( &cyt_r, tempname, 3 ) = temp_r;
HRF( &cyt_phi, tempname, 3 ) = temp_phi;
HRF( &cyt_zz, tempname, 3 ) = temp_zz;
}
}
height_increment = HRF( &hxht, *helix_type, 3 );
rotation_increment = HRF( &hxrep, *helix_type, 3 );
current_height = 0;
current_rotation = 0;
count = 0;
for( chain = 1;chain <= 2;chain ++ ){
if( chain == 1 ){
begin = 1;
end = nresh;
hxmul = - 1;
NAB_strcpy( &strname, "I" );
}
else if( chain == 2 ){
begin = nresh + 1;
end = nres;
hxmul = 1;
NAB_strcpy( &strname, "J" );
}
for( i = begin;i <= end;i ++ ){
NAB_strcpy( &restype, substr( fullseq, i, 1 ) );
if( ( EQ( restype, "A" ) ) || ( EQ( restype, "a" ) ) ){
NAB_strcpy( &resout, "DA" );if( EQ( *acid_type, "rna" ) )NAB_strcpy( &resout, "A" );
for( NAB_hfirst( ade_r, &__cht0001__ );NAB_strcpy( &tempname, NAB_hnext( ade_r, &__cht0001__ ) ); ){
count ++ ;
yyr = ( hxmul * ( HRF( &ade_phi, tempname, 3 ) ) + current_rotation );
xrad = HRF( &ade_r, tempname, 3 );
x = xrad * ( COS( yyr ) );
y = xrad * ( SIN( yyr ) );
z = hxmul * ( HRF( &ade_zz, tempname, 3 ) ) + current_height;
myput_tmp( &x, &y, &z, &count, &i, &tempname, &resout, &strname, &outfile, &nres );
}
}
else if( ( EQ( restype, "G" ) ) || ( EQ( restype, "g" ) ) ){
NAB_strcpy( &resout, "DG" );if( EQ( *acid_type, "rna" ) )NAB_strcpy( &resout, "G" );
for( NAB_hfirst( gua_r, &__cht0002__ );NAB_strcpy( &tempname, NAB_hnext( gua_r, &__cht0002__ ) ); ){
count ++ ;
yyr = ( hxmul * ( HRF( &gua_phi, tempname, 3 ) ) + current_rotation );
xrad = HRF( &gua_r, tempname, 3 );
x = xrad * ( COS( yyr ) );
y = xrad * ( SIN( yyr ) );
z = hxmul * ( HRF( &gua_zz, tempname, 3 ) ) + current_height;
myput_tmp( &x, &y, &z, &count, &i, &tempname, &resout, &strname, &outfile, &nres );
}
}
else if( ( EQ( restype, "T" ) ) || ( EQ( restype, "t" ) ) ){
NAB_strcpy( &resout, "DT" );
for( NAB_hfirst( thy_r, &__cht0003__ );NAB_strcpy( &tempname, NAB_hnext( thy_r, &__cht0003__ ) ); ){
count ++ ;
yyr = ( hxmul * ( HRF( &thy_phi, tempname, 3 ) ) + current_rotation );
xrad = HRF( &thy_r, tempname, 3 );
x = xrad * ( COS( yyr ) );
y = xrad * ( SIN( yyr ) );
z = hxmul * ( HRF( &thy_zz, tempname, 3 ) ) + current_height;
myput_tmp( &x, &y, &z, &count, &i, &tempname, &resout, &strname, &outfile, &nres );
}
}
else if( ( EQ( restype, "U" ) ) || ( EQ( restype, "u" ) ) ){
NAB_strcpy( &resout, "U" );
for( NAB_hfirst( ura_r, &__cht0004__ );NAB_strcpy( &tempname, NAB_hnext( ura_r, &__cht0004__ ) ); ){
count ++ ;
yyr = ( hxmul * ( HRF( &ura_phi, tempname, 3 ) ) + current_rotation );
xrad = HRF( &ura_r, tempname, 3 );
x = xrad * ( COS( yyr ) );
y = xrad * ( SIN( yyr ) );
z = hxmul * ( HRF( &ura_zz, tempname, 3 ) ) + current_height;
myput_tmp( &x, &y, &z, &count, &i, &tempname, &resout, &strname, &outfile, &nres );
}
}
else if( ( EQ( restype, "C" ) ) || ( EQ( restype, "c" ) ) ){
NAB_strcpy( &resout, "DC" );if( EQ( *acid_type, "rna" ) )NAB_strcpy( &resout, "C" );
for( NAB_hfirst( cyt_r, &__cht0005__ );NAB_strcpy( &tempname, NAB_hnext( cyt_r, &__cht0005__ ) ); ){
count ++ ;
yyr = ( hxmul * ( HRF( &cyt_phi, tempname, 3 ) ) + current_rotation );
xrad = HRF( &cyt_r, tempname, 3 );
x = xrad * ( COS( yyr ) );
y = xrad * ( SIN( yyr ) );
z = hxmul * ( HRF( &cyt_zz, tempname, 3 ) ) + current_height;
myput_tmp( &x, &y, &z, &count, &i, &tempname, &resout, &strname, &outfile, &nres );
}
}
current_height += height_increment;
current_rotation += rotation_increment;
}
height_increment = - height_increment;
rotation_increment = - rotation_increment;
current_rotation += rotation_increment;
current_height += height_increment;
if( chain == 1 )
fprintf( outfile, "TER\n" );
}
fclose( infile );
fclose( outfile );
m = getpdb( "nab_tmp.pdb", NULL );
unlink( "nab_tmp.pdb" );
return( m );
}
