#include "stride.h" void FillAsnAntiPar(char *Asn1, char *Asn2, CHAIN **Chain, int Cn1, int Cn2, PATTERN **Pat, int NPat, COMMAND *Cmd) { register int i, j; int Beg1, Beg2, End1, End2; int B1D, B1A, B2D, B2A, E1D, E1A, E2D, E2A; char B1DCn, B1ACn, B2DCn, B2ACn, E1DCn, E1ACn, E2DCn, E2ACn, Beg1Cn, Beg2Cn; PATTERN *CurrPat, *PrevPat;; for( i=0; iNei1 != NULL && Pat[i]->Nei2 == NULL ) CurrPat = Pat[i]->Nei1; else if( Pat[i]->Nei2 != NULL && Pat[i]->Nei1 == NULL ) CurrPat = Pat[i]->Nei2; else continue; if( Cmd->Info ) { fprintf(stdout,"From: %c %c ", Pat[i]->Hb1->Dnr->Chain->Id,Pat[i]->Hb2->Dnr->Chain->Id); if( Pat[i]->Hb1->Dnr->Chain->Id == Chain[Cn1]->Id ) fprintf(stdout,"%s %s %s %s \n", Chain[Cn1]->Rsd[Pat[i]->Hb1->Dnr->D_Res]->PDB_ResNumb, Chain[Cn2]->Rsd[Pat[i]->Hb1->Acc->A_Res]->PDB_ResNumb, Chain[Cn2]->Rsd[Pat[i]->Hb2->Dnr->D_Res]->PDB_ResNumb, Chain[Cn1]->Rsd[Pat[i]->Hb2->Acc->A_Res]->PDB_ResNumb); else fprintf(stdout,"%s %s %s %s \n", Chain[Cn2]->Rsd[Pat[i]->Hb1->Dnr->D_Res]->PDB_ResNumb, Chain[Cn1]->Rsd[Pat[i]->Hb1->Acc->A_Res]->PDB_ResNumb, Chain[Cn1]->Rsd[Pat[i]->Hb2->Dnr->D_Res]->PDB_ResNumb, Chain[Cn2]->Rsd[Pat[i]->Hb2->Acc->A_Res]->PDB_ResNumb); } PrevPat = Pat[i]; while( CurrPat->Nei1 != NULL && CurrPat->Nei2 != NULL ) { if( (CurrPat->Nei1->Nei1 == CurrPat || CurrPat->Nei1->Nei2 == CurrPat) && CurrPat->Nei1 != PrevPat ) { PrevPat = CurrPat; CurrPat = CurrPat->Nei1; } else if( (CurrPat->Nei2->Nei1 == CurrPat || CurrPat->Nei2->Nei2 == CurrPat) && CurrPat->Nei2 != PrevPat ) { PrevPat = CurrPat; CurrPat = CurrPat->Nei2; } else { fprintf(stdout,"Cycle Anti%s%c i = %d \n",Chain[Cn1]->File,Chain[Cn1]->Id,i); break; } } if( Cmd->Info ) { fprintf(stdout,"To: %c %c ", CurrPat->Hb1->Dnr->Chain->Id,CurrPat->Hb2->Dnr->Chain->Id); if( CurrPat->Hb1->Dnr->Chain->Id == Chain[Cn1]->Id ) fprintf(stdout,"%s %s %s %s \n", Chain[Cn1]->Rsd[CurrPat->Hb1->Dnr->D_Res]->PDB_ResNumb, Chain[Cn2]->Rsd[CurrPat->Hb1->Acc->A_Res]->PDB_ResNumb, Chain[Cn2]->Rsd[CurrPat->Hb2->Dnr->D_Res]->PDB_ResNumb, Chain[Cn1]->Rsd[CurrPat->Hb2->Acc->A_Res]->PDB_ResNumb); else fprintf(stdout,"%s %s %s %s \n", Chain[Cn2]->Rsd[CurrPat->Hb1->Dnr->D_Res]->PDB_ResNumb, Chain[Cn1]->Rsd[CurrPat->Hb1->Acc->A_Res]->PDB_ResNumb, Chain[Cn1]->Rsd[CurrPat->Hb2->Dnr->D_Res]->PDB_ResNumb, Chain[Cn2]->Rsd[CurrPat->Hb2->Acc->A_Res]->PDB_ResNumb); } Alias(&B1D,&B1A,&B2D,&B2A,&B1DCn,&B1ACn,&B2DCn,&B2ACn,Pat[i]); Alias(&E1D,&E1A,&E2D,&E2A,&E1DCn,&E1ACn,&E2DCn,&E2ACn,CurrPat); if( (Cn1 != Cn2 || E1D - B2A < E2D - B2A ) && ( MakeEnds(&Beg1,B1D,B2A,&Beg1Cn,B1DCn,&End1,E2A,E1D,E2ACn,&Beg2,E2D,E1A,&Beg2Cn,E2DCn, &End2,B1A,B2D,B1ACn,Pat,NPat) || MakeEnds(&Beg1,B1D,B2A,&Beg1Cn,B1DCn,&End1,E1D,E2A,E1DCn,&Beg2,E1A,E2D,&Beg2Cn,E1ACn, &End2,B1A,B2D,B1ACn,Pat,NPat) ) ) ; else if( ( Cn1 != Cn2 || E2D - B2A < E1D - B2A ) && ( MakeEnds(&Beg1,B1D,B2A,&Beg1Cn,B1DCn,&End1,E1A,E2D,E1ACn,&Beg2,E1D,E2A,&Beg2Cn,E1DCn, &End2,B1A,B2D,B1ACn,Pat,NPat) || MakeEnds(&Beg1,B1D,B2A,&Beg1Cn,B1DCn,&End1,E2D,E1A,E2DCn,&Beg2,E2A,E1D,&Beg2Cn,E2ACn, &End2,B1A,B2D,B1ACn,Pat,NPat) ) ) ; else if( ( Cn1 != Cn2 || B2A - E1D < B2A - E2D ) && ( MakeEnds(&Beg1,B1A,B2D,&Beg1Cn,B1ACn,&End1,E2D,E1A,E2DCn,&Beg2,E2A,E1D,&Beg2Cn,E2ACn, &End2,B1D,B2A,B1DCn,Pat,NPat) || MakeEnds(&Beg1,B1A,B2D,&Beg1Cn,B1ACn,&End1,E1A,E2D,E1ACn,&Beg2,E1D,E2A,&Beg2Cn,E1DCn, &End2,B1D,B2A,B1DCn,Pat,NPat) ) ) ; else if( ( Cn1 != Cn2 || B2A - E2D < B2A - E1D ) && ( MakeEnds(&Beg1,B1A,B2D,&Beg1Cn,B1ACn,&End1,E1D,E2A,E1DCn,&Beg2,E1A,E2D,&Beg2Cn,E1ACn, &End2,B1D,B2A,B1DCn,Pat,NPat) || MakeEnds(&Beg1,B1A,B2D,&Beg1Cn,B1ACn,&End1,E2A,E1D,E2ACn,&Beg2,E2D,E1A,&Beg2Cn,E2DCn, &End2,B1D,B2A,B1DCn,Pat,NPat) ) ) ; else if( ( Cn1 != Cn2 || B1D - E2A < B2D - E2A ) && ( MakeEnds(&Beg1,E1D,E2A,&Beg1Cn,E1DCn,&End1,B2A,B1D,B2ACn,&Beg2,B2D,B1A,&Beg2Cn,B2DCn, &End2,E1A,E2D,E1ACn,Pat,NPat) || MakeEnds(&Beg1,E1D,E2A,&Beg1Cn,E1DCn,&End1,B1D,B2A,B1DCn,&Beg2,B1A,B2D,&Beg2Cn,B1ACn, &End2,E1A,E2D,E1ACn,Pat,NPat) ) ) ; else if( ( Cn1 != Cn2 || B2D - E2A < B1D - E2A ) && ( MakeEnds(&Beg1,E1D,E2A,&Beg1Cn,E1DCn,&End1,B1A,B2D,B1ACn,&Beg2,B1D,B2A,&Beg2Cn,B1DCn, &End2,E1A,E2D,E1ACn,Pat,NPat) || MakeEnds(&Beg1,E1D,E2A,&Beg1Cn,E1DCn,&End1,B2D,B1A,B2DCn,&Beg2,B2A,B1D,&Beg2Cn,B2ACn, &End2,E1A,E2D,E1ACn,Pat,NPat) ) ) ; else if( ( Cn1 != Cn2 || E2A - B1D < E2A - B2D ) && ( MakeEnds(&Beg1,E1A,E2D,&Beg1Cn,E1ACn,&End1,B2D,B1A,B2DCn,&Beg2,B2A,B1D,&Beg2Cn,B2ACn, &End2,E1D,E2A,E1DCn,Pat,NPat) || MakeEnds(&Beg1,E1A,E2D,&Beg1Cn,E1ACn,&End1,B1A,B2D,B1ACn,&Beg2,B1D,B2A,&Beg2Cn,B1DCn, &End2,E1D,E2A,E1DCn,Pat,NPat) ) ) ; else if( ( Cn1 != Cn2 || E2A - B2D < E2A - B1D ) && ( MakeEnds(&Beg1,E1A,E2D,&Beg1Cn,E1ACn,&End1,B1D,B2A,B1DCn,&Beg2,B1A,B2D,&Beg2Cn,B1ACn, &End2,E1D,E2A,E1DCn,Pat,NPat) || MakeEnds(&Beg1,E1A,E2D,&Beg1Cn,E1ACn,&End1,B2A,B1D,B2ACn,&Beg2,B2D,B1A,&Beg2Cn,B2DCn, &End2,E1D,E2A,E1DCn,Pat,NPat) ) ) ; else { fprintf(stdout,"Ne tot variant.. Anti.. %s%c\n",Chain[Cn1]->File,Chain[Cn1]->Id); continue; } if( Beg1Cn == Chain[Cn1]->Id ) { for( j=Beg1; j<=End1; j++ ) Asn1[j] = 'N'; for( j=Beg2; j<=End2; j++ ) Asn2[j] = 'N'; } else { for( j=Beg1; j<=End1; j++ ) Asn2[j] = 'N'; for( j=Beg2; j<=End2; j++ ) Asn1[j] = 'N'; } Pat[i]->Nei1 = NULL; Pat[i]->Nei2 = NULL; CurrPat->Nei1 = NULL; CurrPat->Nei2 = NULL; } } void FillAsnPar(char *Asn1, char *Asn2, CHAIN **Chain, int Cn1, int Cn2, PATTERN **Pat, int NPat, COMMAND *Cmd) { register int i, j; int Beg1, Beg2, End1, End2; int B1D, B1A, B2D, B2A, E1D, E1A, E2D, E2A; char B1DCn, B1ACn, B2DCn, B2ACn, E1DCn, E1ACn, E2DCn, E2ACn, Beg1Cn, Beg2Cn; PATTERN *CurrPat, *PrevPat;; for( i=0; iNei1 != NULL && Pat[i]->Nei2 == NULL ) CurrPat = Pat[i]->Nei1; else if( Pat[i]->Nei2 != NULL && Pat[i]->Nei1 == NULL ) CurrPat = Pat[i]->Nei2; else continue; if( Cmd->Info ) { fprintf(stdout,"From: %c %c ", Pat[i]->Hb1->Dnr->Chain->Id,Pat[i]->Hb2->Dnr->Chain->Id); if( Pat[i]->Hb1->Dnr->Chain->Id == Chain[Cn1]->Id ) fprintf(stdout,"%s %s %s %s \n", Chain[Cn1]->Rsd[Pat[i]->Hb1->Dnr->D_Res]->PDB_ResNumb, Chain[Cn2]->Rsd[Pat[i]->Hb1->Acc->A_Res]->PDB_ResNumb, Chain[Cn2]->Rsd[Pat[i]->Hb2->Dnr->D_Res]->PDB_ResNumb, Chain[Cn1]->Rsd[Pat[i]->Hb2->Acc->A_Res]->PDB_ResNumb); else fprintf(stdout,"%s %s %s %s \n", Chain[Cn2]->Rsd[Pat[i]->Hb1->Dnr->D_Res]->PDB_ResNumb, Chain[Cn1]->Rsd[Pat[i]->Hb1->Acc->A_Res]->PDB_ResNumb, Chain[Cn1]->Rsd[Pat[i]->Hb2->Dnr->D_Res]->PDB_ResNumb, Chain[Cn2]->Rsd[Pat[i]->Hb2->Acc->A_Res]->PDB_ResNumb); } PrevPat = Pat[i]; while( CurrPat->Nei1 != NULL && CurrPat->Nei2 != NULL ) { if( (CurrPat->Nei1->Nei1 == CurrPat || CurrPat->Nei1->Nei2 == CurrPat) && CurrPat->Nei1 != PrevPat ) { PrevPat = CurrPat; CurrPat = CurrPat->Nei1; } else { PrevPat = CurrPat; CurrPat = CurrPat->Nei2; } } if( Cmd->Info ) { fprintf(stdout,"To: %c %c ", CurrPat->Hb1->Dnr->Chain->Id,CurrPat->Hb2->Dnr->Chain->Id); if( CurrPat->Hb1->Dnr->Chain->Id == Chain[Cn1]->Id ) fprintf(stdout,"%s %s %s %s \n", Chain[Cn1]->Rsd[CurrPat->Hb1->Dnr->D_Res]->PDB_ResNumb, Chain[Cn2]->Rsd[CurrPat->Hb1->Acc->A_Res]->PDB_ResNumb, Chain[Cn2]->Rsd[CurrPat->Hb2->Dnr->D_Res]->PDB_ResNumb, Chain[Cn1]->Rsd[CurrPat->Hb2->Acc->A_Res]->PDB_ResNumb); else fprintf(stdout,"%s %s %s %s \n", Chain[Cn2]->Rsd[CurrPat->Hb1->Dnr->D_Res]->PDB_ResNumb, Chain[Cn1]->Rsd[CurrPat->Hb1->Acc->A_Res]->PDB_ResNumb, Chain[Cn1]->Rsd[CurrPat->Hb2->Dnr->D_Res]->PDB_ResNumb, Chain[Cn2]->Rsd[CurrPat->Hb2->Acc->A_Res]->PDB_ResNumb); } Alias(&B1D,&B1A,&B2D,&B2A,&B1DCn,&B1ACn,&B2DCn,&B2ACn,Pat[i]); Alias(&E1D,&E1A,&E2D,&E2A,&E1DCn,&E1ACn,&E2DCn,&E2ACn,CurrPat); if( ( Cn1 != Cn2 || abs(E1D-B2A) < abs(E2D-B2A) ) && ( MakeEnds(&Beg1,B1D,B2A,&Beg1Cn,B1DCn,&End1,E2A,E1D,E2ACn,&Beg2,B1A,B2D,&Beg2Cn,B1ACn, &End2,E2D,E1A,E2DCn,Pat,NPat) || MakeEnds(&Beg1,B1D,B2A,&Beg1Cn,B1DCn,&End1,E1D,E2A,E1DCn,&Beg2,B1A,B2D,&Beg2Cn,B1ACn, &End2,E1A,E2D,E1ACn,Pat,NPat) ) ) ; else if( ( Cn1 != Cn2 || abs(E2D-B2A) < abs(E1D-B2A) ) && ( MakeEnds(&Beg1,B1D,B2A,&Beg1Cn,B1DCn,&End1,E1A,E2D,E1ACn,&Beg2,B1A,B2D,&Beg2Cn,B1ACn, &End2,E1D,E2A,E1DCn,Pat,NPat) || MakeEnds(&Beg1,B1D,B2A,&Beg1Cn,B1DCn,&End1,E2D,E1A,E2DCn,&Beg2,B1A,B2D,&Beg2Cn,B1ACn, &End2,E2A,E1D,E2ACn,Pat,NPat) ) ) ; else if( ( Cn1 != Cn2 || abs(B2A-E1D) < abs(B2A-E2D) ) && ( MakeEnds(&Beg1,B1A,B2D,&Beg1Cn,B1ACn,&End1,E2D,E1A,E2DCn,&Beg2,B1D,B2A,&Beg2Cn,B1DCn, &End2,E2A,E1D,E2ACn,Pat,NPat) || MakeEnds(&Beg1,B1A,B2D,&Beg1Cn,B1ACn,&End1,E1A,E2D,E1ACn,&Beg2,B1D,B2A,&Beg2Cn,B1DCn, &End2,E1D,E2A,E1DCn,Pat,NPat) ) ) ; else if( ( Cn1 != Cn2 || abs(B2A-E2D) < abs(B2A-E1D) ) && ( MakeEnds(&Beg1,B1A,B2D,&Beg1Cn,B1ACn,&End1,E1D,E2A,E1DCn,&Beg2,B1D,B2A,&Beg2Cn,B1DCn, &End2,E1A,E2D,E1ACn,Pat,NPat) || MakeEnds(&Beg1,B1A,B2D,&Beg1Cn,B1ACn,&End1,E2A,E1D,E2ACn,&Beg2,B1D,B2A,&Beg2Cn,B1DCn, &End2,E2D,E1A,E2DCn,Pat,NPat) ) ) ; else if( ( Cn1 != Cn2 || abs(B1D-E2A) < abs(B2D-E2A) ) && ( MakeEnds(&Beg1,E1D,E2A,&Beg1Cn,E1DCn,&End1,B2A,B1D,B2ACn,&Beg2,E1A,E2D,&Beg2Cn,E1ACn, &End2,B2D,B1A,B2DCn,Pat,NPat) || MakeEnds(&Beg1,E1D,E2A,&Beg1Cn,E1DCn,&End1,B1D,B2A,B1DCn,&Beg2,E1A,E2D,&Beg2Cn,E1ACn, &End2,B1A,B2D,B1ACn,Pat,NPat) ) ) ; else if( ( Cn1 != Cn2 || abs(B2D-E2A) < abs(B1D-E2A) ) && ( MakeEnds(&Beg1,E1D,E2A,&Beg1Cn,E1DCn,&End1,B1A,B2D,B1ACn,&Beg2,E1A,E2D,&Beg2Cn,E1ACn, &End2,B1D,B2A,B1DCn,Pat,NPat) || MakeEnds(&Beg1,E1D,E2A,&Beg1Cn,E1DCn,&End1,B2D,B1A,B2DCn,&Beg2,E1A,E2D,&Beg2Cn,E1ACn, &End2,B2A,B1D,B2ACn,Pat,NPat) ) ) ; else if( ( Cn1 != Cn2 || abs(E2A-B1D) < abs(E2A-B2D) ) && ( MakeEnds(&Beg1,E1A,E2D,&Beg1Cn,E1ACn,&End1,B2D,B1A,B2DCn,&Beg2,E1D,E2A,&Beg2Cn,E1DCn, &End2,B2A,B1D,B2ACn,Pat,NPat) || MakeEnds(&Beg1,E1A,E2D,&Beg1Cn,E1ACn,&End1,B1A,B2D,B1ACn,&Beg2,E1D,E2A,&Beg2Cn,E1DCn, &End2,B1D,B2A,B1DCn,Pat,NPat) ) ) ; else if( ( Cn1 != Cn2 || abs(E2A-B2D) < abs(E2A-B1D) ) && ( MakeEnds(&Beg1,E1A,E2D,&Beg1Cn,E1ACn,&End1,B1D,B2A,B1DCn,&Beg2,E1D,E2A,&Beg2Cn,E1DCn, &End2,B1A,B2D,B1ACn,Pat,NPat) || MakeEnds(&Beg1,E1A,E2D,&Beg1Cn,E1ACn,&End1,B2A,B1D,B2ACn,&Beg2,E1D,E2A,&Beg2Cn,E1DCn, &End2,B2D,B1A,B2DCn,Pat,NPat) ) ) ; else { fprintf(stdout,"Ne tot variant.. Par %s%c\n",Chain[Cn1]->File,Chain[Cn1]->Id); continue; } if( Beg1Cn == Chain[Cn1]->Id ) { for( j=Beg1; j<=End1; j++ ) Asn1[j] = 'P'; for( j=Beg2; j<=End2; j++ ) Asn2[j] = 'P'; } else { for( j=Beg1; j<=End1; j++ ) Asn2[j] = 'P'; for( j=Beg2; j<=End2; j++ ) Asn1[j] = 'P'; } Pat[i]->Nei1 = NULL; Pat[i]->Nei2 = NULL; CurrPat->Nei1 = NULL; CurrPat->Nei2 = NULL; } } int MakeEnds(int *Beg1, int ResBeg1, int NeiBeg1, char *Beg1Cn, char ResBeg1Cn, int *End1, int ResEnd1, int NeiEnd1, char ResEnd1Cn, int *Beg2, int ResBeg2, int NeiBeg2, char *Beg2Cn, char ResBeg2Cn, int *End2, int ResEnd2, int NeiEnd2, char ResEnd2Cn, PATTERN **Pat, int NPat) { register int i; int Flag1 = 0, Flag2 = 0; if( ResBeg1 <= NeiBeg1 && NeiBeg1 <= NeiEnd1 && NeiEnd1 <= ResEnd1 && ResBeg2 <= NeiBeg2 && NeiBeg2 <= NeiEnd2 && NeiEnd2 <= ResEnd2 && ResBeg1Cn == ResEnd1Cn && ResBeg2Cn == ResEnd2Cn ) { *Beg1 = ResBeg1; *End1 = ResEnd1; *Beg2 = ResBeg2; *End2 = ResEnd2; *Beg1Cn = ResBeg1Cn; *Beg2Cn = ResBeg2Cn; for( i=0; iHb1->Dnr->D_Res == (*Beg1) && Pat[i]->Hb1->Acc->A_Res == (*End2) && Pat[i]->Hb1->Dnr->Chain->Id == (*Beg1Cn) && Pat[i]->Hb1->Acc->Chain->Id == (*Beg2Cn) ) || (Pat[i]->Hb1->Acc->A_Res == (*Beg1) && Pat[i]->Hb1->Dnr->D_Res == (*End2) && Pat[i]->Hb1->Acc->Chain->Id == (*Beg1Cn) && Pat[i]->Hb1->Dnr->Chain->Id == (*Beg2Cn) ) ) && Pat[i]->Hb1->Dnr->D_Res == Pat[i]->Hb2->Acc->A_Res && Pat[i]->Hb2->Dnr->D_Res == Pat[i]->Hb1->Acc->A_Res ) Flag1 = 1; if( ( (Pat[i]->Hb1->Dnr->D_Res == (*Beg2) && Pat[i]->Hb1->Acc->A_Res == (*End1) && Pat[i]->Hb1->Dnr->Chain->Id == (*Beg2Cn) && Pat[i]->Hb1->Acc->Chain->Id == (*Beg1Cn) ) || (Pat[i]->Hb1->Acc->A_Res == (*Beg2) && Pat[i]->Hb1->Dnr->D_Res == (*End1) && Pat[i]->Hb1->Acc->Chain->Id == (*Beg2Cn) && Pat[i]->Hb1->Dnr->Chain->Id == (*Beg1Cn) ) ) && Pat[i]->Hb1->Dnr->D_Res == Pat[i]->Hb2->Acc->A_Res && Pat[i]->Hb2->Dnr->D_Res == Pat[i]->Hb1->Acc->A_Res ) Flag2 = 1; } if( !Flag1 ) { if( *Beg1 != NeiBeg1 ) (*Beg1)++; if( *End2 != NeiEnd2 ) (*End2)--; } if( !Flag2 ) { if( *End1 != NeiEnd1 ) (*End1)--; if( *Beg2 != NeiBeg2 ) (*Beg2)++; } return(SUCCESS); } return(FAILURE); } void FilterAntiPar(PATTERN **Pat, int NPat) { register int i, j; int I1A, I1D, I2A, I2D, J1A, J1D, J2A, J2D; char I1ACn, I1DCn, I2ACn, I2DCn, J1ACn, J1DCn, J2ACn, J2DCn; for( i=0; iExistPattern ) continue; Alias(&I1D,&I1A,&I2D,&I2A,&I1DCn,&I1ACn,&I2DCn,&I2ACn,Pat[i]); for( j=0; jExistPattern ) continue; Alias(&J1D,&J1A,&J2D,&J2A,&J1DCn,&J1ACn,&J2DCn,&J2ACn,Pat[j]); if( J1D == J2A && J2D == J1A && I1D != I2A && I2D != I1A && ( (J1D == I1D && J1A == I1A) || (J1D == I1A && J1A == I1D) || (J1D == I2A && J1A == I2D) || (J1D == I2D && J1A == I2A) ) ) continue; if( ( ( I1D < I2A || I2D < I1A ) && ( (J1A <= I2A && J1A >= I1D && J2D <= I2A && J2D >= I1D && J2DCn == I1DCn && J2A <= I1A && J2A >= I2D && J1D <= I1A && J1D >= I2D && J1DCn == I2DCn) || (J2A <= I2A && J2A >= I1D && J1D <= I2A && J1D >= I1D && J1DCn == I1DCn && J1A <= I1A && J1A >= I2D && J2D <= I1A && J2D >= I2D && J2DCn == I2DCn) ) ) || ( ( I1D > I2A || I2D > I1A ) && ( (J1A >= I2A && J1A <= I1D && J2D >= I2A && J2D <= I1D && J2DCn == I1DCn && J2A >= I1A && J2A <= I2D && J1D >= I1A && J1D <= I2D && J1DCn == I2DCn) || (J2A >= I2A && J2A <= I1D && J1D >= I2A && J1D <= I1D && J1DCn == I1DCn && J1A >= I1A && J1A <= I2D && J2D >= I1A && J2D <= I2D && J2DCn == I2DCn) ) ) ) { Pat[j]->ExistPattern = NO; } } } } void FilterPar(PATTERN **Pat, int NPat) { register int i, j; int I1A, I1D, I2A, I2D, J1A, J1D, J2A, J2D; char I1ACn, I1DCn, I2ACn, I2DCn, J1ACn, J1DCn, J2ACn, J2DCn; for( i=0; iExistPattern ) continue; Alias(&I1D,&I1A,&I2D,&I2A,&I1DCn,&I1ACn,&I2DCn,&I2ACn,Pat[i]); for( j=0; jExistPattern ) continue; Alias(&J1D,&J1A,&J2D,&J2A,&J1DCn,&J1ACn,&J2DCn,&J2ACn,Pat[j]); if( ( ( I1A >= I2D && I1D >= I2A ) && ( (J1A >= I2A && J1A <= I1D && J2D >= I2A && J2D <= I1D && J2DCn == I1DCn && J2A <= I1A && J2A >= I2D && J1D <= I1A && J1D >= I2D && J1DCn == I2DCn) || (J2A >= I2A && J2A <= I1D && J1D >= I2A && J1D <= I1D && J1DCn == I1DCn && J1A <= I1A && J1A >= I2D && J2D <= I1A && J2D >= I2D && J2DCn == I2DCn) ) ) || ( I2A >= I1D && I2D >= I1A && ( (J1A <= I2A && J1A >= I1D && J2D <= I2A && J2D >= I1D && J2DCn == I1DCn && J2A >= I1A && J2A <= I2D && J1D >= I1A && J1D <= I2D && J1DCn == I2DCn) || (J2A <= I2A && J2A >= I1D && J1D <= I2A && J1D >= I1D && J1DCn == I1DCn && J1A >= I1A && J1A <= I2D && J2D >= I1A && J2D <= I2D && J2DCn == I2DCn) ) ) ) { Pat[j]->ExistPattern = NO; } } } } void Alias(int *D1,int *A1,int *D2,int *A2,char *D1Cn,char *A1Cn,char *D2Cn,char *A2Cn, PATTERN *Pat) { *D1 = Pat->Hb1->Dnr->D_Res; *A1 = Pat->Hb1->Acc->A_Res; *D2 = Pat->Hb2->Dnr->D_Res; *A2 = Pat->Hb2->Acc->A_Res; *D1Cn = Pat->Hb1->Dnr->Chain->Id; *A1Cn = Pat->Hb1->Acc->Chain->Id; *D2Cn = Pat->Hb2->Dnr->Chain->Id; *A2Cn = Pat->Hb2->Acc->Chain->Id; }