On Mon, Apr 25, 2016 at 4:44 AM, Jean-Patrick Francoia <
jeanpatrick.francoia.gmail.com> wrote:
> Hi,
>
> I generated an opendx file with the volmap command of cpptraj. VMD and
> Chimera are supposed to be able to read it, but it doesn't work.
> Chimera's error log says:
>
> Error reading file test_volmap.dx, format apbs
> Missing "object 1 class gridpositions counts <l> <m> <n>" header line
>
> Can I assume the opendx file outputed by volmap is not properly
> formatted ? Here is the head of the dx file:
>
> # VOLMAP_00000
> 1.000 1.000 1.000 0.0000
> 2.000 1.000 1.000 0.0000
> 3.000 1.000 1.000 0.0000
> 4.000 1.000 1.000 0.0000
> 5.000 1.000 1.000 0.0000
> 6.000 1.000 1.000 0.0000
> 7.000 1.000 1.000 0.0000
> 8.000 1.000 1.000 0.0000
> 9.000 1.000 1.000 0.0000
>
That's not an OpenDX file at all. What command did you use in cpptraj to
generate the .dx file?
> Could you tell me how I can visualize this map ?
>
It needs to be either an OpenDX or XPLOR grid file rather than a raw data
file with space-separated numbers.
HTH,
Jason
--
Jason M. Swails
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Received on Mon Apr 25 2016 - 03:30:04 PDT
