include/index.h

   1 /*
   2  * $Id$
   3  *
   4  *       This source code is part of
   5  *
   6  *        G   R   O   M   A   C   S
   7  *
   8  * GROningen MAchine for Chemical Simulations
   9  *
  10  *               VERSION 2.0
  11  *
  12  * Copyright (c) 1991-1999
  13  * BIOSON Research Institute, Dept. of Biophysical Chemistry
  14  * University of Groningen, The Netherlands
  15  *
  16  * Please refer to:
  17  * GROMACS: A message-passing parallel molecular dynamics implementation
  18  * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
  19  * Comp. Phys. Comm. 91, 43-56 (1995)
  20  *
  21  * Also check out our WWW page:
  22  * http://md.chem.rug.nl/~gmx
  23  * or e-mail to:
  24  * gromacs@chem.rug.nl
  25  *
  26  * And Hey:
  27  * Good ROcking Metal Altar for Chronical Sinners
  28  */
  29 static char *SRCID_index_h = "$Id$";
  30
  31 extern t_block *new_block(void);
  32 /* allocate new block */
  33
  34 extern void write_index(char *outf, t_block *b,char **gnames);
  35 /* Writes index blocks to outf (writes an indexfile) */
  36
  37 void add_grp(t_block *b,char ***gnames,int nra,atom_id a[],char *name);
  38 /* Ads group a with name name to block b and namelist gnames */
  39
  40 extern void analyse(t_atoms *atoms,t_block *gb,char ***gn,
  41                     bool bASK,bool bVerb);
  42 /* Makes index groups gb with names gn for atoms in atoms.
  43  * bASK=FALSE gives default groups.
  44  */
  45
  46 extern bool is_protein(char *resnm);
  47 /* gives true if resnm occurs in aminoacids.dat */