#include "stride.h" void ContactMap(CHAIN **Chain, int NChain, COMMAND *Cmd ) { register int Res1, Res2; int Cn1, Cn2, CA1, CA2; float D; for( Cn1=0; Cn1Valid ) continue; for( Cn2=0; Cn2Valid ) continue; for( Res1=0; Res1NRes; Res1++ ) { if( !FindAtom(Chain[Cn1],Res1,"CA",&CA1) ) continue; for( Res2=0; Res2NRes; 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); }