/* * 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" int CheckAtom(char *At) { int AtomTypeCnt, AtomTypeNumber = 95; static char *Atom[MAX_AtomType] = { "AD1", "AD2", "AE1", "AE2", "C", "CA", "CB", "CD", "CD1", "CD2", "CE", "CE1", "CE2", "CE3", "CG", "CG1", "CG2", "CH2", "CH3", "CZ", "CZ2", "CZ3", "HG", "HG1", "HH", "HH2", "HZ", "HZ2", "HZ3", "N", "ND1", "ND2", "NE", "NE1", "NE2", "NH1", "NH2", "NZ", "O", "OD1", "OD2", "OE", "OE1", "OE2", "OG", "OG1", "OH", "OXT", "SD", "SG", "H", "HA", "HB", "HD1", "HD2", "HE", "HE1", "HE2", "HE3", "1H", "1HA", "1HB", "1HD", "1HD1", "1HD2", "1HE", "1HE2", "1HG", "1HG1", "1HG2", "1HH1", "1HH2", "1HZ", "2H", "2HA", "2HB", "2HD", "2HD1", "2HD2", "2HE", "2HE2", "2HG", "2HG1", "2HG2", "2HH1", "2HH2", "2HZ", "3H", "3HB", "3HD1", "3HD2", "3HE", "3HG1", "3HG2", "3HZ" }; for( AtomTypeCnt=0; AtomTypeCnt