/* * 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 Process_SHEET(BUFFER Buffer, CHAIN **Chain, int *ChainNumber, COMMAND *Cmd) { int CC, SC, STC; char *Field[MAX_FIELD]; BUFFER Tmp; static char PreviousChain, PreviousSheetId[RES_FIELD]; if( Cmd->NActive && !ChInStr(Cmd->Active,SpaceToDash(Buffer[21])) ) return(SUCCESS); for( CC=0; CC < *ChainNumber && Chain[CC]->Id != Buffer[21]; CC++ ); if( CC == *ChainNumber ) { InitChain(&Chain[CC]); Chain[CC]->Id = Buffer[21]; (*ChainNumber)++; } if( Chain[CC]->NSheet == -1 ) { PreviousChain = '*'; strcpy(PreviousSheetId,"*"); } SplitString(Buffer+7,Field,2); if( atoi(Field[0]) == 1 || Buffer[21] != PreviousChain ) { if( Buffer[21] == PreviousChain && !strcmp(PreviousSheetId,Field[1]) ) return(FAILURE); /* die("Here it is! -> %s%c\n", Chain[CC]->File,Chain[CC]->Id);*/ Chain[CC]->NSheet++; SC = Chain[CC]->NSheet; Chain[CC]->Sheet[SC] = (SHEET *)ckalloc(sizeof(SHEET)); Chain[CC]->Sheet[SC]->NStrand = 0; STC = Chain[CC]->Sheet[SC]->NStrand; strcpy(Chain[CC]->Sheet[SC]->SheetId,Field[1]); } else { SC = Chain[CC]->NSheet; STC = Chain[CC]->Sheet[SC]->NStrand; } SplitString(Buffer+17,Field,1); strcpy(Chain[CC]->Sheet[SC]->ResType1[STC],Field[0]); SplitString(Buffer+28,Field,1); strcpy(Chain[CC]->Sheet[SC]->ResType2[STC],Field[0]); strcpy(Tmp,Buffer); Tmp[27] = ' '; Tmp[38] = ' '; SplitString(Tmp+22,Field,1); strcpy(Chain[CC]->Sheet[SC]->PDB_ResNumb1[STC],Field[0]); SplitString(Tmp+33,Field,1); strcpy(Chain[CC]->Sheet[SC]->PDB_ResNumb2[STC],Field[0]); Chain[CC]->Sheet[SC]->InsCode1[STC] = Buffer[26]; Chain[CC]->Sheet[SC]->InsCode2[STC] = Buffer[37]; SplitString(Buffer+38,Field,1); Chain[CC]->Sheet[SC]->Sence[STC] = atoi(Field[0]); if( Buffer[45] != ' ' ) { Chain[CC]->Sheet[SC]->RegYN[STC] = 1; SplitString(Buffer+45,Field,1); strcpy(Chain[CC]->Sheet[SC]->ResTypeReg1[STC],Field[0]); SplitString(Buffer+60,Field,1); strcpy(Chain[CC]->Sheet[SC]->ResTypeReg2[STC],Field[0]); Tmp[55] = ' '; Tmp[70] = ' '; SplitString(Tmp+50,Field,1); strcpy(Chain[CC]->Sheet[SC]->PDB_ResNumbReg1[STC],Field[0]); SplitString(Tmp+66,Field,1); strcpy(Chain[CC]->Sheet[SC]->PDB_ResNumbReg2[STC],Field[0]); Chain[CC]->Sheet[SC]->InsCodeReg1[STC] = Buffer[54]; Chain[CC]->Sheet[SC]->InsCodeReg2[STC] = Buffer[69]; Tmp[45] = ' '; Tmp[60] = ' '; SplitString(Tmp+41,Field,1); strcpy(Chain[CC]->Sheet[SC]->AtomNameReg1[STC],Field[0]); SplitString(Tmp+56,Field,1); strcpy(Chain[CC]->Sheet[SC]->AtomNameReg2[STC],Field[0]); } else Chain[CC]->Sheet[SC]->RegYN[STC] = 0; strcpy(PreviousSheetId,Chain[CC]->Sheet[SC]->SheetId); PreviousChain = Buffer[21]; Chain[CC]->Sheet[SC]->NStrand++; return(SUCCESS); }