[Chimera-users] sphgen format

[Conrad Huang]

Hi, Brian.

According to documentation 
(http://dock.compbio.ucsf.edu/DOCK_6/dock6_manual.htm#SphgenOutput), the 
first line of a sphgen file is supposed to be a header.  There should 
also be eight fields in each sphere line, although the last two probably 
aren't used often.  I've updated the code so that it will handle missing 
headers and sphere fields.  If you can try out tomorrow's daily build at 
http://www.cgl.ucsf.edu/chimera/download.html#daily (should be dated Sep 
14, 2012), it should work better.

(I assume the file contents you sent is just the start of the file.  If 
there are really only sixteen points in a cluster declared to have 72, 
Chimera will still complain and not open it.)

Conrad

On 9/13/12 3:32 PM, Brian Fochtman wrote:
> Hello,
>    I read in the release notes for version 1.6 that Chimera is now able
> to input files in the dock .sph format.  Thank you for this feature, it
> will be very helpful.  Unfortunately I am having some trouble using it.
> (File -> Open -> file.sph) declares a syntax error for the following
> file (I've only included the beginning of the file because the output
> says the synax error is on line 2).  Is there another method to read in
> these files?
>    Thank you,
>            Brian Fochtman
>
>
> cluster     1   number of spheres in cluster    72
>      1  20.51900 -17.55400  15.86300   0.700    1
>      2  21.04300 -18.55700  16.07400   0.700    2
>      3  22.17700 -17.60500  16.24100   0.700    3
>      4  22.17500 -17.84200  15.30900   0.700    4
>      5  21.41300 -20.08800  15.15700   0.700    5
>      6  20.64000 -20.83100  16.58800   0.700    6
>      7  21.63200 -18.65500  14.15300   0.700    7
>      8  23.13800 -16.98900  16.54500   0.700    8
>      9  21.18800 -21.21200  14.71200   0.700    9
>     10  17.88800 -26.45300  19.89900   0.700   10
>     11  21.83900 -17.33000  12.81300   0.700   11
>     12  21.28600 -20.42100  13.28900   0.700   12
>     13  23.77100 -15.65400  16.91100   0.700   13
>     14  21.15100 -21.76500  13.92000   0.700   14
>     15  21.38500 -19.46300  12.20200   0.700   15
>     16  20.39500 -21.75600  13.41100   0.700   16
>
>
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