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65 lines
1.9 KiB
C
65 lines
1.9 KiB
C
/*
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* Copyright (C) 1992-1994 Dmitrij Frishman <d.frishman at wzw.tum.de>
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*
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* Permission is hereby granted, free of charge, to any person obtaining a copy
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* of this software and associated documentation files (the "Software"), to deal
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* in the Software without restriction, including without limitation the rights
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* to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
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* copies of the Software, and to permit persons to whom the Software is
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* furnished to do so, subject to the following conditions:
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*
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* The above copyright notice and this permission notice shall be included in
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* all copies or substantial portions of the Software.
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*
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* THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
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* IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
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* FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
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* AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
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* LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
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* OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN
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* THE SOFTWARE.
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*/
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#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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