[Chimera-users] ESP grid is offset from original PDB coordinates??

[Kenward Vaughan]

I was playing with esp results yesterday from Delphi on several
structures, and ran a quick calculation on 2ace.  To my surprise, the
results as visualized as a solid under volume viewer were very obviously
offset from the structure itself.  They stand alone to one side of the
original.  I've attached a small jpg of this.

I'm using the latest Linux production version (beta version 1 build
2415) on an amd64 box (Debian Sid, kernel 2.6.20).

I hope there is a simple explanation... ;-)  I am no expert with Delphi,
so something may be odd there. I used a couple of the siz/crg files,
with the same results in each case, so I suspect something in the
original pdb file is messing things up?

Cheers!


Kenward
-- 
                                       .'^~;,_
Dr. Kenward Vaughan                    `:,'~~~~~
Professor of Chemistry                 \;:/
Bakersfield College                    |,;|
1801 Panorama Drive                   / ', \
Bakersfield, CA  93305               / o  O \
http://www2.bc.cc.ca.us/kvaughan    (oOoOOoOo)
                                  ---========---
                                   ???$$MM$$???
                      
-------------- next part --------------
A non-text attachment was scrubbed...
Name: espOffset.jpg
Type: image/jpeg
Size: 5944 bytes
Desc: not available
URL: <http://plato.cgl.ucsf.edu/pipermail/chimera-users/attachments/20070529/ab22ce9f/attachment.jpg>