********>Bugfix 3:
Author:  Terry Lang
Date: December 12, 2005

Program: dock

Description:  DOCK does not perceive anchors correctly if first atom in ligand file is in a ring.  Function 
that perceives anchors had memory leak, which was fixed with an additional loop.  Unfortunately, loop caused 
anchor perception to terminate prematurely in above situation.  

Fix:  Make the following changes to the file src/dockmol.cpp
===================================================================
RCS file: /usr/local/cvsroot/dock/src/dockmol.cpp,v
retrieving revision 1.1.8.2
diff -c -r1.1.8.2 dockmol.cpp
*** dockmol.cpp	24 Oct 2005 18:15:25 -0000	1.1.8.2
--- dockmol.cpp	13 Dec 2005 00:24:45 -0000
***************
*** 655,661 ****
  			nbr_bond = get_bond(nbrs[i], atnum);
  
  			if(!bonds[nbr_bond]) {
! 				if(nbrs[i] > 0){
  					bonds[nbr_bond] = true;
  
  					apath.push_back(nbrs[i]);
--- 655,661 ----
  			nbr_bond = get_bond(nbrs[i], atnum);
  
  			if(!bonds[nbr_bond]) {
! 				//if(nbrs[i] > 0){
  					bonds[nbr_bond] = true;
  
  					apath.push_back(nbrs[i]);
***************
*** 665,671 ****
  					apath.pop_back();
  					bpath.pop_back();
  			
! 				}
  			}
  
  		}
--- 665,671 ----
  					apath.pop_back();
  					bpath.pop_back();
  			
! 				//}
  			}
  
  		}