[Chimera-users] XPLOR volumetric data not shown as a volume

[Tom Goddard]

Hi Matthias,

   Regarding your question of whether XPLOR format is best for you.  The 
main drawbacks are that the files are large and slow to read because 
they are text instead of binary.  Your files are probably 2 to 3 times 
larger (about 8 to 12 bytes per value versus 4 bytes in binary format) 
and maybe 10x slower to parse since the text numbers have to be 
converted to binary.  Most map formats are binary for these reasons.  
But those formats can be harder to write out since the headers are often 
not well documented, or are complex.  So stick with XPLOR if the size 
and speed are ok.

     Tom


> Dear all,
>
>                 having succeeded in writing an XPLOR data file and 
> importing it into CHIMERA, I was expecting to see
>
> a cube like volume. Instead, I'm only seeing a thin plane. Is this to 
> be expected?
>
> The header for the XPLOR file is as below:
>
>        1
>
> SXD2001reciprocal_space_volume
>
>      301       0     300     301       0     300     301       0     300
>
>     30.10000    30.10000    30.10000    90.00000    90.00000    90.00000
>
> ZYX
>
>        0
>
>      0.57280     0.05125     0.25826     0.23192     0.47232     0.40565
>
>      0.28667     0.06406     0.13678     0.22750     0.22332     0.11380
>
>     -0.02432     0.32358     0.22395     0.06303     0.22736     0.27504
>
>      0.30512     0.21062     0.26810     0.15033     0.25180     0.39434
>
>      0.85280     0.25197     0.07160     0.22430     0.28253     0.11386
>
>      0.34160     0.32177    -0.03150     0.22739     0.47072    -0.00241
>
>      0.26013     0.20844     0.20823     0.30089     0.40608     0.23863
>
>    -0.13479     0.28377     0.08277     0.25996     0.23550     0.09638
>
> How can I get the entire volume to display as a volume rather than a 
> single plane?
>
> Is the XPLOR format not a good one to use for this purpose?
>
> Many thanks and best wishes,
>
> Matthias
>
> ----------------------------------------------------------------------------------------------
>
> Matthias Gutmann                                          Instrument 
> Scientist SXD
>
> Rutherford Appleton Laboratory              Phone: +44 (0)1235 44 6397
>
> ISIS Facility                                                          
> Fax: +44 (0)1235 44 5200
>
> Chilton Didcot                                                    
> Office : R3, 1.28
>
> Oxfordshire OX11 0QX                                   Email: 
> Matthias.Gutmann at stfc.ac.uk
>
> UNITED KINGDOM
>
>
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>
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>
>
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