A tool to extract parameters from coordinate files. More...

#include "rwmolecule.h"
#include "rwmd.h"
#include "mol_param.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 tool to extract parameters from coordinate files.

Author: Bernard Heymann

Date: Created: 20050304; Modified: 20150512

Function Documentation

◆ main()

int main	(	int	argc,
		char **	argv
	)

Variable Documentation

◆ use

const char* use[]

Initial value:

= {
" ",
"Usage: bparam [options] param.star",
"----------------------------------",
"Manipulate molecular parameter files.",
" ",
"Actions:",
"-select CA               Atom selection (default all).",
"-bonds                   List all bond lengths.",
"-angles                  List all angles.",
"-length 1.85             Length to define bonds.",
" ",
"Parameters:",
"-verbose 7               Verbosity of output.",
"-elements                Use elements as identifiers rather than atom names.",
" ",
"Input:",
"-from input.pdb          Extract parameters from an atomic coordinate file.",
"-parameters parm.star    Molecular parameter file (default atom_prop.star)",
" ",
"Output:",
"-output param.star       Output parameter file.",
" ",
NULL
}

◆ verbose

int verbose

extern