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