示例#1
0
/*>BOOL blAreResiduesBonded(PDB *pdb, 
                            char *chain1, int resnum1, char *insert1,
                            char *chain2, int resnum2, char *insert2,
                            REAL tol)
   ------------------------------------------------------------------
*//**
   \param[in] *pdb       PDB linked list
   \param[in] *chain1    First chain label
   \param[in] resnum1    First residue number
   \param[in] *insert1   First insert code
   \param[in] *chain2    Second chain label
   \param[in] resnum2    Second residue number
   \param[in] *insert2   Second insert code
   \param[in] tol        Tolerance for distances
   \return               Are they bonded

   Tests whether two residue are bonded

-  23.06.15 Original   By: ACRM
*/
BOOL blAreResiduesBonded(PDB *pdb, 
                         char *chain1, int resnum1, char *insert1,
                         char *chain2, int resnum2, char *insert2,
                         REAL tol)
{
   PDB *res1, 
       *res2;

   /* Find the residues                                                 */
   if((res1 = blFindResidue(pdb, chain1, resnum1, insert1))!=NULL)
   {
      if((res2 = blFindResidue(pdb, chain2, resnum2, insert2))!=NULL)
      {
         return(blAreResiduePointersBonded(res1, res2, tol));
      }
   }
   return(FALSE);
}
示例#2
0
PDB *FindResidue(PDB *pdb, char chain, int resnum, char insert)
{
   char chain_a[2]  = " ",
        insert_a[2] = " ";

   DEPRECATED("FindResidue()","blFindResidue()");

   chain_a[0]  = chain;
   insert_a[0] = insert;

   return(blFindResidue(pdb, chain_a, resnum, insert_a));
}