src/kernel/ter_db.h

   1 /*
   2  * $Id$
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   4  *                This source code is part of
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   6  *                 G   R   O   M   A   C   S
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   8  *          GROningen MAchine for Chemical Simulations
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  10  *                        VERSION 3.1
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  12  * This program is free software; you can redistribute it and/or
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  32
  33 #ifndef _ter_db_h
  34 #define _ter_db_h
  35
  36
  37 #include "sysstuff.h"
  38 #include "hackblock.h"
  39 #include "grompp.h"
  40
  41 extern int read_ter_db(char *FF,char ter,
  42                        t_hackblock **tbptr,t_atomtype *atype);
  43 /* Read database for N&C terminal hacking */
  44
  45 extern t_hackblock **filter_ter(int nb,t_hackblock tb[],char *resname,int *nret);
  46 /* Return a list of pointers to blocks that match residue name */
  47
  48 extern t_hackblock *choose_ter(int nb,t_hackblock **tb,char *title);
  49 /* Interactively select one.. */
  50
  51 extern void print_ter_db(FILE *out,int nb,t_hackblock tb[],t_atomtype *atype);
  52 /* Print the stuff */
  53
  54 #endif  /* _ter_db_h */