Coot Scripting Interface  7000
get-monomer.hh
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1 /* src/get-monomer.hh
2  *
3  * Copyright 2010 by the University of Oxford
4  * Author: Paul Emsley
5  *
6  * This program is free software; you can redistribute it and/or modify
7  * it under the terms of the GNU General Public License as published by
8  * the Free Software Foundation; either version 3 of the License, or (at
9  * your option) any later version.
10  *
11  * This program is distributed in the hope that it will be useful, but
12  * WITHOUT ANY WARRANTY; without even the implied warranty of
13  * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
14  * General Public License for more details.
15  *
16  * You should have received a copy of the GNU General Public License
17  * along with this program; if not, write to the Free Software
18  * Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA
19  * 02110-1301, USA
20  */
21 
22 #include <string>
23 
31 int get_monomer(const std::string &comp_id);
32 
34 int get_monomer_for_molecule(const std::string &comp_id, int imol);
35 
40 int get_monomer_from_dictionary(const std::string &comp_id, int idealised_flag);
41 
42 
43 // return a new molecule number
44 int get_monomer_molecule_by_network_and_dict_gen(const std::string &text);
45 
46 // int get_monomer_for_molecule_by_index() is called in callbacks.h, needs a c-interface.
int get_monomer(const std::string &comp_id)
import libcheck monomer give the 3-letter code.
int get_monomer_from_dictionary(const std::string &comp_id, int idealised_flag)
Use the protein geometry dictionary to retrieve a set of coordinates quickly from cif data read in fr...
int get_monomer_for_molecule(const std::string &comp_id, int imol)
get the monomer for the given molecule