********> bugfix.38 Author: Bill Ross Date: June 4, 1999 Programs: Leap Severity: Mild Description: Adding a redundant bond to a residue template in a prep.in LOOP section will cause Leap to exit when loading an instance of the residue via loadpdb. Fix: Make the following change to amber.c: ---------------------------------------------------------------------------- *** OLD amber.c --- NEW amber.c *************** *** 1217,1223 **** VP0(( "** LOOP atom %s not found\n", saStr[2] )); problem++; } ! AtomBondTo( aAtom, aAtom2 ); } if (problem) { VP0(( "Discarding residue (%s) to EOF\n", --- 1217,1227 ---- VP0(( "** LOOP atom %s not found\n", saStr[2] )); problem++; } ! if (bAtomBondedTo(aAtom, aAtom2)) { ! VP0(( "%s: LOOP: redundant bond %s--%s ignored\n", ! sResidueDescription(rRes), saStr[1], saStr[2] )); ! } else ! AtomBondTo( aAtom, aAtom2 ); } if (problem) { VP0(( "Discarding residue (%s) to EOF\n", ----------------------------------------------------------------------------