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34 lines
2.2 KiB
C
34 lines
2.2 KiB
C
/*
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* Copyright <2012> <Vincent Le Guilloux,Peter Schmidtke, Pierre Tuffery>
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* Copyright <2013-2018> <Peter Schmidtke, Vincent Le Guilloux>
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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:
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The above copyright notice and this permission notice shall be included in all copies or substantial portions of the Software.
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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.
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*/
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#ifndef DH_WRITEPDB
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#define DH_WRITEPDB
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#include <stdio.h>
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#include <stdlib.h>
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#include <string.h>
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/* -------------------------- PUBLIC FUNCTIONS ------------------------------ */
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void write_pdb_atom_line(FILE *f, const char rec_name[], int id, const char atom_name[],
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char alt_loc, const char res_name[], const char chain[],
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int res_id, const char insert, float x, float y, float z, float occ,
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float bfactor, int abpa, const char *symbol, int charge,float abpa_prob) ;
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void write_pqr_atom_line(FILE *f, const char *rec_name, int id, const char *atom_name,
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char alt_loc, const char *res_name, const char *chain,
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int res_id, const char insert, float x, float y, float z, float charge,
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float radius);
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void write_mmcif_atom_line(FILE *f, const char rec_name[], int id, const char atom_name[],
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char alt_loc, const char res_name[], const char chain[],
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int res_id, const char label_asym_id[],int label_seq_id, const char insert, float x, float y, float z, float occ,
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float bfactor, int abpa, const char *symbol, int charge,float abpa_prob) ;
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#endif
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