[Chimera-users] Bad number format Xplor file format

[Tom Goddard]

HI Ishwor,

  The XPLOR format requires lines where the first 12 columns holds the first number, the second 12 columns holds the second number, … 12 columns per number.  The example lines you provide do not use 12 columns per number.  The software that wrote that file is not writing it in the correct format.  My guess is that software fails because of the 3 digit exponents (e.g "E-166”) — probably the writing software only fails to follow the 12 columns per number rule when you have 3-digit exponents.  In single-precision (32-bit floats) you would never get 3 digit exponents and perhaps the error is that the writing program was converted from single precision to double precision.

	Tom


> On Aug 12, 2018, at 7:51 PM, ISHWOR POUDYAL <ishwor_p_19 at yahoo.com> wrote:
> 
> Hello All,
> 
> I try to convert electron density obtained from iterative phasing in *.xplor file format to view in the chimera. Something went wrong which I could not figure out. The generated density reads as follows for the first few lines. 
> 
> ##########################################################
>   241    -120     120     241    -120     120     241    -120     120
> 
>  3.26000E+02 3.26000E+02 3.26000E+02 9.00000E+01 9.00000E+01 9.00000E+01
> 
> ZYX
> 
>        0
> 
>  2.21928E-166 0.00000E+00 1.59337E-167 0.00000E+00 1.14399E-168 0.00000E+00
> 
>  8.21346E-170 0.00000E+00 5.89700E-171 0.00000E+00 4.23386E-172 0.00000E+00
> 
> #############################################################
> 
> While I try to view the electron density in chimera it says
> "SyntaxError:Bad number format in line  2.21928E-166 0.00000E+00 1.59337E-167 0.00000E+00 1.14399E-168 0.00000E+00"
> 
> WOuld you please help me out
> 
> Many thanks
> _______________________________________________
> Chimera-users mailing list: Chimera-users at cgl.ucsf.edu
> Manage subscription: http://plato.cgl.ucsf.edu/mailman/listinfo/chimera-users

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://plato.cgl.ucsf.edu/pipermail/chimera-users/attachments/20180813/48ea21a0/attachment.html>