[Chimera-users] Map Oddities
Albion Baucom
baucom at msg.ucsf.edu
Fri Sep 22 10:41:24 PDT 2006
Hi,
I am trying to work out how maps are handled in various graphics
programs so I can easily move between programs and expect to see the
same thing in each session. Unfortunately at the moment that isn't
working so well, and I would like to resolve this issue.
Basically I have a situation where I have a PDB model and a CCP4
format EM density map in Chimera that are docked. When I open the
exact same map and model in other programs such as O or Pymol, the
map and the model are no longer in agreement.
What I have noticed is that if I draw the unit cell for the map (P1
symmetry since this is an EM reconstruction), in Chimera, the model
and map live in the center of the unit cell and are docked. If I draw
the unit cell for O or Pymol, the map lives at the origin of the unit
cell, at (0,0,0), which is in the corner, and model is outside of the
unit cell offset by what appears to be some arbitrary translation (I
have tried using half the unit cell dimensions as a translation, but
that unfortunately gets me _very_ close to being correctly docked in
the map, but off by some 10A).
It appears Chimera is handling the map and model differently than the
other packages and I am trying to get an idea of what happens when
this map is loaded. I am including a listing of the map header from
MAPMAN below.
Thanks!
Albion
Grid = 96 96 96
Origin = -48 -48 -48
Extent = 96 96 96
Cell = 213.423 213.423 213.423 90.000 90.000
90.000
UVW = 1 2 3
Spcgrp = 1 Nr of points = 884736
Density min = -6.915E-01 Max = 2.397E+00
Average = 7.247E-11 Sigma = 2.290E-01
Variance = 5.243E-02
Mappage Prod= 8.257E+01 Plus = 57
Dyn. range = -6.903E-01 To = 2.398E+00
Cell vol. = 9.721E+06 Voxel vol. = 1.099E+01
Grid vol. = 9.721E+06 %Cell vol. = 100.00
Origin frac = -0.50000 -0.50000 -0.50000
Origin Cart = -106.712 -106.712 -106.712
Top frac = 0.48958 0.48958 0.48958
Top Cart = 104.488 104.488 104.488
Spacing = 2.223 2.223 2.223
Top = 47 47 47
Changes = F
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