AVS Modules							coord2geom

NAME
	coord2geom -	This module reads molecular geometry information from 
			a variety of file formats, namely, xyz, DMol, MOPAC,
			MOL2, Chem36, and pdb.  The user can specify the units
			of the coordinates, and the display type via widgits.

SUMMARY
	Name	   coord2geom

	Type       Data Input

	Inputs	   None

	Outputs	   geometry - geom


	Parameters:
	Name		Type		Default		Choices
	----		----		-------		-------
	file type	choice browser	coord		coord:dcar:pdb:
							mopac_xyz:mopac_esp:
							mm3:mol2:mol:chem_3d
	units		choice browser	Angstroms	Angstroms:Bohrs
	scale		typein_real	1.0		0.0 	5.0
	Representation	choice browser	ball and stick	ball and stick:cpk:
							colored stick:
							colored residue
	Show Hydrogens	choice browser	show		show:hide


DESCRIPTION:
	This module reads in a molecular geometry and exports the
information as an AVS geometry format.


INPUTS:
	None       


PARAMETERS:
	file type
		choose the type of the file that data is to be read from
	units
		choose the units which match the data in the input file
	scale	
		atoms are represented by spheres, this parm scales them
	Representation	
		display type for the molecular geometry and bonds
	Show Hydrogens
		specify whether Hydrogen and its bonds are to be shown
		


OUTPUTS:
	geometry
		outputs the molecular geometry and bonds


EXAMPLE NETWORK:

                        ---------------------
                        |     coord2geom    |
                        ---------------------
                                  |                          
                                  |                                 
                                  |              
                        ---------------------
                        |        tube       |
                        ---------------------
                                  |           
                                  |           
                                  |                                 
                        ---------------------                            
                        |  geometry viewer  | 
                        ---------------------  


RELATED MODULES:
	display_gaussian
	display_mopac
	DMOL_to_field


SEE ALSO:
	K.M. Flurchick and Lee Bartolotti, "Visualizing Properties of 
	Atomic and Molecular Systems", accepted by Journal of Molecular 
	Graphics.
	Ken Flurchick, Lee Bartolotti and Mark Reed, "Visualizing 
	Atomic and Molecular Properties Using AVS", AVS'94 Proceedings.