bcatmol.cpp File Reference

A program to concatenate coordinates from different files. More...

#include "rwmolecule.h"
#include "mol_transform.h"
#include "mol_util.h"
#include "utilities.h"
#include "options.h"
#include "timer.h"

Functions
int	main (int argc, char **argv)

Variables
int	verbose
const char *	use []

Detailed Description

A program to concatenate coordinates from different files.

Author

Bernard Heymann

Date

Created: 20031018

Modified: 20170123

Function Documentation

main()

int main	(	int	argc,
		char **	argv
	)

Variable Documentation

use

const char* use[]

Initial value:

= {
" ",
"Usage: bcatmol [options] input.pdb [input2.pdb ...]",
"---------------------------------------------------",
"Concatenates sets of coordinates with shifts from sets of files.",
" ",
"Actions:",
"-select CA               Atom selection (default all).",
"-rename D                Rename molecules from the given letter.",
" ",
"Parameters:",
"-verbose 7               Verbosity of output.",
"-box 10,10,10            Size of enclosing box (angstrom, default from coordinates).",
"-pbc                     Resolve periodic boundary bonds before catenation.",
" ",
"Input:",
"-parameters parm.star    Atomic properties parameter file (default atom_prop.star).",
" ",
"Output:",
"-output output.pdb       Output coordinate file (default temp.pdb).",
" ",
NULL
}

verbose

int verbose

extern