Okay, smart.., forgot the attachment and took a while to
realize it :)
On Thu, 17 Feb 2005 11:21:53 +0100
"T.A.Wassenaar" <t.a.wassen...@rug.nl> wrote:
Hi Guys,
For those interested, I've made a macro for Povray which
allows to transform the Pymol povray output back to model
space, or to transform povray models to Pymols camera
space.
After #including "pymolmacro.inc" call PYMOL_VIEW() with
the eighteen floats from cmd.get_view() to set the
transformations. Then Pymol models can be transformed by
calling
transform { FROM_PYMOL_VIEW }
and povray models can be transformed with
transform { TO_PYMOL_VIEW }
An example of it, adding a povray density map to the
pymol scene can be found at
http://md.chem.rug.nl/~tsjerk/Gallery/density.jpg
I hope to find some time to give more explanation on how
I did that. Maybe something for a Wiki ;)
Have fun,
Tsjerk
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//
// PYMOLMACRO.INC v0.1
//
// (c)2005 Tsjerk Wassenaar, University of Groningen
//
// This include file for Povray contains
// just a few macros which together allow
// the conversion between the model space
// (cartesian coordinates) and the Pymol
// camera space.
//
// With these macros one can easily combine
// a Pymol scene with objects defined in the
// coordinate space of the original
// structure file.
//
// The input consists of the output of the
// get_view() command in Pymol. This output
// consists of 18 floating point numbers
// defining a rotation matrix and shift
// vectors for the origin of rotation and
// for the camera position.
//
// The macro PYMOL_VIEW loads a
// view obtained from Pymol.
//
// It #declares two transformation statements:
//
// FROM_PYMOL_VIEW
// TO_PYMOL_VIEW
//
// The first can be used to transform the Pymol
// scene back to model (normal) space, the latter
// is used to transform other objects to appear in
// the scene on the correct position.
//
//
//
// Tsjerk A. Wassenaar
// February 16, 2005
//
// Determinant of a matrix
//------------------------
#macro DET( m11, m12, m13, m21, m22, m23, m31, m32, m33 )
#local a = m11 * ( m22*m33 - m23*m32 );
#local b = m12 * ( m21*m33 - m23*m31 );
#local c = m13 * ( m21*m32 - m22*m31 );
(a - b + c)
#end // of DET()
// The inverse of a matrix
//------------------------
#macro INV( m11, m12, m13, m21, m22, m23, m31, m32, m33 )
#local invdet = 1/DET( m11, m12, m13, m21, m22, m23, m31, m32, m33 );
#local t11 = invdet * ( m22*m33 - m23*m32 );
#local t12 = invdet * ( m21*m33 - m23*m31 );
#local t13 = invdet * ( m21*m32 - m22*m31 );
#local t21 = invdet * ( m12*m33 - m13*m32 );
#local t22 = invdet * ( m11*m33 - m13*m31 );
#local t23 = invdet * ( m11*m32 - m12*m31 );
#local t31 = invdet * ( m12*m23 - m13*m22 );
#local t32 = invdet * ( m11*m23 - m13*m21 );
#local t33 = invdet * ( m11*m22 - m12*m21 );
< t11, t12, t13, t21, t22, t23, t31, t32, t33, 0, 0, 0 >
#end // of INV()
#macro PYMOL_VIEW(r11, r12, r13, // 3x3 Rotation matrix ( Model space to Camera space )
r21, r22, r23,
r31, r32, r33,
c1, c2, c3, // Camera position ( Model space )
o1, o2, o3, // Origin of rotation ( Model space )
s1, s2, or) // Slab near and far, orthoscopic flag ( discarded )
#declare TO_PYMOL_VIEW = transform {
translate -< o1, o2, o3 >
matrix < r11, r12, r13,
r21, r22, r23,
r31, r32, r33,
c1, c2, c3 >
}
#declare FROM_PYMOL_VIEW = transform {
translate -< c1, c2, c3>
matrix INV( r11, r12, r13, r21, r22, r23, r31, r32, r33 )
translate < o1, o2, o3>
}
#end
