Pteros  2.0
Molecular modeling library for human beings!
selection_macro.h
1 /*
2  *
3  * This source code is part of
4  * ******************
5  * *** Pteros ***
6  * ******************
7  * molecular modeling library
8  *
9  * Copyright (c) 2009-2013, Semen Yesylevskyy
10  *
11  * This program is free software; you can redistribute it and/or
12  * modify it under the terms of Artistic License:
13  *
14  * Please note, that Artistic License is slightly more restrictive
15  * then GPL license in terms of distributing the modified versions
16  * of this software (they should be approved first).
17  * Read http://www.opensource.org/licenses/artistic-license-2.0.php
18  * for details. Such license fits scientific software better then
19  * GPL because it prevents the distribution of bugged derivatives.
20  *
21 */
22 #ifndef SELECTION_MACRO_H
23 #define SELECTION_MACRO_H
24 
25 namespace pteros {
26 
29 static const char* macro[] = {
30  "protein", "(resname ALA CYS ASP GLU PHE GLY HIS ILE LYS LEU MET ASN PRO GLN ARG SER THR VAL TRP TYR LYSH HISA HISB CYSH)",
31  "backbone", "(name C CA O N)",
32  "acidic", "(resname ASP GLU)",
33  "cyclic", "(resname HIS PHE PRO TRP TYR)",
34  "aromatic", "(resname HIS PHE TRP TYR)",
35  "basic", "(resname ARG HIS LYS HSP)",
36  "buried", "(resname ALA LEU VAL ILE PHE CYS MET TRP)",
37  "charged", "(resname ARG HIS LYS HSP ASP GLU)",
38  "hydrophobic", "(resname ALA LEU VAL ILE PRO PHE MET TRP)",
39  "water", "(resname HOH SOL)"
40 };
42 static const int Nmacro = 10;
43 
44 } // end of namespace pteros
45 
46 #endif
Pteros namespace.
Definition: options.cpp:32