MDWPARAM.DAT

This file contains the atomic parameters used by MOLDRAW to establish the molecular connectivity. Usually the user will alter these parameters by means of the

(Edit--->Set atomic parameters...) menu:

The file contains one record per atom and it is composed as follows:

----------------------------------------------------------------------
Atomic parameter: length in picometer
COVR: covalent radii used to establish molecular connettivity
GRAR: graphic radii used to establish atomic spheres
VDWR: van der Waals radii
CPKS: Corey-Pauling factor to scale the van der Waals radii
ATSYMB: Atomic symbol
ATWEIGTH: Atomic weigth
ATCOLOR: Atomic color among 16 available (see the table below)
-----------------------------------------------------------------------
Atom  COVR   GRAR   VDWR  CPKS ATSYMB  ATWEIGTH   ATCOLOR
 1        38       38      117      .7       H          1.00800     White                        
 2       140     140      140      .7       He        4.00260      White                        
 3       123     123      180      .7       Li          6.94100      White                        

It can also be edited directly to change permanently the defaults atomic parameters. Default parameters for heavier atoms may give excessive number of bonds.

The newly set of changed parameters can be permanently saved in a file for future use by the (File--->Save atomic parameters...) menu. Similarly, they can be restored during a MOLDRAW session by the (File--->Read atomic parameters...) menu.

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