[Chimera-users] writing mrc files
Eran Shacham
eshacham at burnham.org
Fri Apr 21 12:40:17 PDT 2006
Hey there,
I am trying to write an mrc file using the write_mrc2000_grid_data
module. My function is below. My array of data is a
<scitbx_array_family_flex_ext.double object at 0x58b9502c>.
Which is a basically a matrix with dimensions: (243, 243, 243).
When trying to write an mrc file using this array I get the following error:
*************************
File "/home/eshacham/cctbx/mrc_functions.py", line 20, in write_mrc
write_mrc2000_grid_data(g, path)
File "CHIMERA/share/VolumeData/mrc/writemrc.py", line 44, in
write_mrc2000_grid_data
File "CHIMERA/share/VolumeData/arraygrid.py", line 48, in submatrix
ValueError: need more than 1 value to unpack
Code used
***********************
def write_mrc(data):
print data
origin = (1.54, 2.45, 3.45) # XYZ coordinates of array index (0,0,0)
step = (.25, .25, .25) # Spacing between grid points
import Numeric
a = Numeric.array(data, Numeric.Float32)
arrays = [a]
import VolumeData
g = VolumeData.Array_Grid_Data(arrays, origin, step)
path = '/home/eshacham/structures/result.mrc'
from VolumeData.mrc import write_mrc2000_grid_data
write_mrc2000_grid_data(g, path)
I am assuming that it has to do with my array dimensions.
Any help would be greatly appreciated.
Cheers,
Eran.
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