Using single-precision for XPLOR output fixed the problem
From: ISHWOR POUDYAL Hello Tom,
Many thanks! I changed the double precision to single-precision and it works.
Ishwor
On Monday, August 13, 2018, 12:09:15 PM CDT, Tom Goddard <goddard@sonic.net> wrote:
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@yahoo.com <mailto:ishwor_p_19@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@cgl.ucsf.edu <mailto:Chimera-users@cgl.ucsf.edu> Manage subscription: http://plato.cgl.ucsf.edu/mailman/listinfo/chimera-users <http://plato.cgl.ucsf.edu/mailman/listinfo/chimera-users>