Subject: [modeller_usage] SO4 ion coordinates not written
From: "Cheri M Turman" <>
Date: Tue, 01 Feb 2005 17:25:18 -0600
Hi fellow modellers,
I am trying to model my protein with SO4 included in the template pdb
file. My problem first started when I used # for sulfate ion in my .ali
file but MODELLER stopped early with an error where it was trying to
match up the SO4 with GLYP. I thought this was probably because # is
used for GLYP in the restyp.lib file and it is the first one defined in
the list with a #. Therefore, I changed # to s for SO4 (also changed
the original s for sarcosine to #). The model was produced but no
coordinates were written for sulfate ions. Does anyone know what I
might need to do to get the coordinates written?
Cheers,
Cheri
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Cheri M. Turman
Graduate Student
University of Texas-Houston Medical School
6431 Fannin
Houston, TX 77030 USA
e-mail:
Ph.: 713-500-6126
Fax: 713-500-0652
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