OBJEKT
AMBER_Combine(OBJEKT objProt, OBJEKT objLig)
{
// version of function oCmd_combine
UNIT uCombined, uCurrent;
LOOP lTemp;
RESIDUE rRes = NULL;
OBJEKT oObj;
/* add only one uCurrent unit (Ligand) to uCombined unit (Protein) */
uCombined = (UNIT)objProt;
oObj = objLig;
if ( iObjectType( oObj ) != UNITid ) {
printf( "%s: is type %s\n",
"Ligand", sObjectType(oObj) );
}
uCurrent = (UNIT)objLig;
printf( " Ligand: %s\n", sContainerName((CONTAINER) uCurrent) );
if ( uCombined == NULL ) {
printf( "--- no Protein unit \n" );
} else {
printf( "Joining Protein and Ligand \n" );
UnitJoin( uCombined, uCurrent );
}
if ( uCombined == NULL ) {
printf( "No UNITS, so no combine performed\n" );
return(NULL);
}
/* Define PDB sequence */
lTemp = lLoop( (OBJEKT)uCombined, RESIDUES );
while ( rRes == (RESIDUE)oNext(&lTemp) ) {
ResidueSetPdbSequence( rRes, iContainerSequence((CONTAINER) rRes) );
}
return((OBJEKT)uCombined);
}
OBJEKT AMBER_Combine(OBJEKT objProt, OBJEKT objLig)
{
UNIT uCombined, uCurrent;
LOOP lTemp;
RESIDUE rRes = NULL;
OBJEKT oObj;
uCombined = (UNIT)objProt;
oObj = objLig;
if ( iObjectType( oObj ) != UNITid )
{
PrintInfo(( "%s: is type %s", "Ligand", sObjectType(oObj) ));
}
uCurrent = (UNIT)oCopy(oObj );
PrintInfo(( " Sequence: %s", sContainerName((CONTAINER) uCurrent) ));
if ( uCombined == NULL )
{
printf( "Copying the first UNIT\n" );
uCombined = uCurrent;
} else
{
printf( "Copied a subsequent UNIT\n" );
printf( "Joining two UNITS \n" );
UnitJoin( uCombined, uCurrent );
}
if ( uCombined == NULL )
{
printf( "No UNITS, so no combine performed\n" );
return(NULL);
}
lTemp = lLoop( (OBJEKT)uCombined, RESIDUES );
while ( rRes == (RESIDUE)oNext(&lTemp) )
{
ResidueSetPdbSequence( rRes, iContainerSequence((CONTAINER) rRes) );
}
return((OBJEKT)uCombined);
}
/// \brief get the metaclass of the object.
virtual const zn::ObjectType & objectType() const
{
return sObjectType();
}
