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