/*>PDB *DupePDB(PDB *in)
---------------------
Input: PDB *in Input PDB linked list
Returns: PDB * Duplicated PDB linked list
(NULL on allocation failure)
Duplicates a PDB linked list. Allocates new linked list with identical
data.
11.10.95 Original By: ACRM
08.10.99 Initialise q to NULL
*/
PDB *DupePDB(PDB *in)
{
PDB *out = NULL,
*p, *q = NULL;
for(p=in; p!=NULL; NEXT(p))
{
if(out==NULL)
{
INIT(out, PDB);
q=out;
}
else
{
ALLOCNEXT(q, PDB);
}
if(q==NULL)
{
FREELIST(out, PDB);
return(NULL);
}
CopyPDB(q, p);
}
return(out);
}
/****************************************************************************
Generate a CA, CACB, NCAC model for a pdb
*****************************************************************************/
int SimplifyPDB(struct atom_s *x, int n, char *model)
{
struct atom_s *y;
int m;
y = AlloAtoms(n);
if (!strcmp(model,"CA")) m = PDB2CA(x,y,n);
else if (!strcmp(model,"CACB")) m = PDB2CACB(x,y,n);
else if (!strcmp(model,"NCAC")) m = PDB2NCAC(x,y,n);
else Error("Model not defined in SimplifyPDB");
CopyPDB(y,x,m);
free(y);
return m;
}