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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.
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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)
}
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Actual size is 640x480
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Surface files:
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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 MB | 124.9 MB | 21.1 MB |
234.1 MB | 98.9 MB | 14.5 MB |
220.1 MB | 97.1 MB | 14.5 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.
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