Parameters for SURFNET              (surfnet.par)
----------------------
 
TITLE
Ser-His-Asp catalytic triad
 
INPUT FILE
triad.pdb

Output files listed below. The information entered for each is as follows.
The numbers in square brackets refer to the notes at the end of the file.
The program names indicate which programs need to be rerun when any of the
parameters are changed.

            <----SURFNET----><-SURFACE-><----------SURFPLOT------------>
                                        Foregrnd  Backgrnd        
                   Atom range            colour    colour     Line 
          File     1st   Last  Contour   /shade    /shade     width  SOLID
Filename  type[1] atom   atom  level[2]  (0-10)[3] (0-10)[3]   [4]  /WIRE

OUTPUT FILES
hb1_b        J      1       1     0.0       1        10   G   -0.08 SOLID
hb2_b        J      2       2     0.0       1        10   G   -0.08 SOLID
hb3_b        J      3       3     0.0       1        10   G   -0.08 SOLID
triad_a      A      1    2000     0.0      10        10   G    0.3
triad_b      B      1    2000     0.0      10        10   G    0.15


Program parameters
------------------

SURFNET
  0.0   0.0   0.0  <- Origin of grid box (to use: set atom range below to 0 0)
-1000 10000     <- Atom range defining grid bounds (0 0 to use origin above)
6.0       <- Additional boundary round atom-range/origin (Angstroms)
0.80      <- Grid separation
1.0       <- Minimum radius for gap spheres (in Angstroms)
4.0       <- Maximum radius for gap spheres (in Angstroms)
I         <- (C)CP4, (I)nsightII, (Q)uanta, (S)ybyl contour files, or (N)one
Y         <- Calculate gap volume - (Y/N)?
1.0       <- Scaling factor

SURFACE
(Currently no additional parameters)

SURFPLOT
R             <- (C)olour/(B)&W Postscript file, (P)DB-format, (R)aster3D
0             <- Background colour
12            <- Colour of "walls" in back-projections
A             <- (F)loor, (L)eft wall, (R)ight wall, (A)ll three, (N)one
Y             <- Display foreground object (Y/N)?
Y             <- Margin round object - (Y/N)?
0.20          <- Atom radius (in Angstroms) for plot - NOT USED
N             <- Print sequential numbers by the atoms (Y/N)?
Y             <- Maintain x-,y-,z-axes (ignore matrix below) (Y/N)?
 0.0          <- Rotation about x-axis
 0.0          <- Rotation about y-axis
280.0         <- Rotation about z-axis
1.0 0.0 0.0
0.0 1.0 0.0
0.0 0.0 1.0
  50.0 100.0 100.0    <- Position of light-source
 40 32         <- Raster3D size, number of tiles in x and y (Max: 80 64)
N              <- Infinite planes for back wall(s) in Raster3d (Y/N)?



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