Complex
using template
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This example shows the molecular surface of a protein complex colored by electrostatic potentials and surface curvatures. In order to save memory in Pov4Grasp, a template surface is defined and the relevant properties are mapped on several copies.

After a quick rendering test, the final command-line is:

<command> +i <file> +w640 +h480 -f +a0.2 +am2 +r2
The -f option prevents writing files which often slows down calculation, especially across network. For the same reason, display is not used.

  Example
ligand.inc (file lost, sorry)   complex-grasp.p4g   complex-scene.inc   complex-orient.inc   complex.srf.gz (1.9 Mbytes)
#version 3.1;

// scene description + macro + transformation matrix
#include "complex-scene.inc"
#include "complex-orient.inc"

// ligand molecule
#declare lig = object{ #include "ligand.inc" }

// generic surface object
#declare surf = grasp_surface
{
  "complex.srf" verbose
  finish{ diffuse 0.6  specular 0.75  roughness 0.005 }
}

// left complex with potentials
union
{
  object{lig}
  grasp_surface
  {
    "complex.srf" with surf
    colored_by potentials
    gradient rgb<1,.25,.25>,rgb 1,rgb<.25,.25,1>
    range <-15,0,15>
  }

  transform complexorient
  scale <1,1,-SYSTEM>
  correct_translate(-30,0,0)
}

// right complex with curvatures
union
{
  object{lig}
  grasp_surface
  {
    "complex.srf" with surf
    colored_by curvatures
    gradient rgb .5,rgb 1,rgb<.25,1,.25>
    range <-50,0,15>
  }

  transform complexorient
  scale <1,1,-SYSTEM>
  correct_translate(30,0,0)
}
complex
Actual size is 640x480
 


  Benchmarks

Surface files:

47702 vertices for 95372 triangles Rendered with
trimap .inc / 18.0 MB (surface,potentials) + .inc / 17.4 MB (surface,curvatures) = 35.4 MB POV-Ray 3.1g
mesh2 .inc / 7.5 MB (surface,potentials) + .inc / 7.5 MB (surface,curvatures) = 15.0 MB MegaPOV 0.6a
grasp .srf / 3.1 MB (surface,potentials,curvatures) Pov4Grasp 1.31
MB = megabytes

Statistics:

resolution:
640x480
DEC SGI PC
trimap mesh2 grasp trimap mesh2 grasp trimap mesh2 grasp
Peak memory used 283.2 MB124.9 MB21.1 MB 234.1 MB98.9 MB14.5 MB 220.1 MB97.1 MB14.5 MB
Time For Parse 9' 09"33" 7" 6' 17"37" 5" 6' 57"43" 6"
Time For Trace 9' 24" 9' 23" 9' 25" 16' 01"15' 41"15' 27" 18' 53"17' 38"18' 36"
Total Time 18' 33" 9' 56" 9' 32" 22' 18"16' 18"15' 32" 25' 50"18' 21"18' 42"
MB = megabytes

Notes:
* This example performs an expensive scheme for tracing soft shadows together with the antialiasing options. Time for trace values are much smaller when disabling that feature.
* MegaPOV 0.6a revealed a bug using 'transform <identifier>' that has been fixed for these tests.

 


Back to the examples and benchmarks


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