| void ContactMap(CHAIN **Chain, int NChain, COMMAND *Cmd ) | |
| { | |
| register int Res1, Res2; | |
| int Cn1, Cn2, CA1, CA2; | |
| float D; | |
| for( Cn1=0; Cn1<NChain; Cn1++ ) { | |
| if( !Chain[Cn1]->Valid ) | |
| continue; | |
| for( Cn2=0; Cn2<NChain; Cn2++ ) { | |
| if( !Chain[Cn2]->Valid ) | |
| continue; | |
| for( Res1=0; Res1<Chain[Cn1]->NRes; Res1++ ) { | |
| if( !FindAtom(Chain[Cn1],Res1,"CA",&CA1) ) | |
| continue; | |
| for( Res2=0; Res2<Chain[Cn2]->NRes; Res2++ ) { | |
| if( !FindAtom(Chain[Cn2],Res2,"CA",&CA2) ) | |
| continue; | |
| D = Dist(Chain[Cn1]->Rsd[Res1]->Coord[CA1], | |
| Chain[Cn2]->Rsd[Res2]->Coord[CA2]); | |
| printf("%c %d <-> %c %d : %7.3f\n", | |
| SpaceToDash(Chain[Cn1]->Id),Res1, | |
| SpaceToDash(Chain[Cn2]->Id),Res2,D); | |
| } | |
| } | |
| } | |
| } | |
| exit(0); | |
| } | |