colorhsb.xmo

一个很好的分子动力学程序

XMD (Version 2.5.29 Nov 27 2000)

Not using pthread library.
Not using asm("finit"); patch in thread routines.
#######################################################################
#                                                                     #
#  Example:  Plotting Color                                           #
#                                                                     #
#######################################################################
#                                                                     #
#    XMD can produce color plots on a color postscript printer.       #
#  There are two methods of specifying color, RGB (red green blue)    # 
#  and HSB (hue saturation brighness).  The following example         #
#  draw 64 atoms of varying hue, saturation and brightness            #
#                                                                     #
#######################################################################
debug on
allocate  1000 100000
WARNING:  Allocate command is now obsolete.
#
#
#  Make 3D simple cubic lattice
#
box 4 4 4
particle 1
dup  3  1 0 0
dup  3  0 1 0
dup  3  0 0 1
#
#  Set up plot parameters required by both plots
#
# Postscript Printer
plot device postscript
# Number of pages
plot page 1
# Number of layers
plot layer 4
# Orientation of plot (vertical axis y, horizontal axis x)
plot orient y/x
#
#  Give each layer  its own hue
#  Give each column its own saturation
#  Give each row    its own brigtness
#
#   Assign atom colors
#   Select each atom in sequence, and assign color
#   according to its layer, column and row.
calc  index = 0
calc  layer = 0
repeat 4
   calc column = 0
   repeat 4
      calc row = 0
		repeat 4
  			calc index = index + 1
			calc hue        = layer  / 3
         calc saturation = column / 3
         calc brightness = row    / 3

			#   Select each atom in sequence
			select index index

			#   Assign hue, saturation and brightness 
			plot  symbol fill  hsb   hue  saturation brightness cir 0.125
			calc row = row + 1
		end
		calc column  = column + 1
	end
	calc layer = layer + 1
end
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#
#  Plot
#
# Plot label
label 1
# plot to output postscript file
plot write colorhsb.ps

TIME INFORMATION
   Ending   Time: 03/19/2001   13:37:07
   Elapsed  Time: 0 min 00 sec

ERROR STATISTICS
   Number of Fatal Errors:               0
   Number of Unknown Command Errors:     0
   Number of Misc. Warnings:             1   <=======  !!!