Bad bound interpretation or specification

[GoogleCodeExporter]

What steps will reproduce the problem?
1. Look at entry 1omt
2.
3.

What is the expected output? What do you see instead?

Please use labels and text to provide additional information.

Original issue reported on code.google.com by jurge...@gmail.com on 1 Sep 2011 at 12:01

[GoogleCodeExporter]

Oops, I wasn't finished typing yet.

Author
assign (resid 22 and name Hb1 ) (resid 32 and name Ha1 ) 1.90 6.56 -1.70
assign (resid 22 and name Hb1 ) (resid 32 and name Ha2 ) 1.90 4.86  1.70
                                                          d   d_min d_plus
Last restraint should be 
lower bound = d - d_min = -2.96

NRG violation
4 1 22 PRO QB 1 54 GLY QA . . 0.880 3.304 3.264 3.355 2.475 38 50 
[*************************************+**********-*] 1 

CING violation:
5    A  22  PRO QB  A   32  GLY QA      3.60    4.44    0.19    3.97    4.78    0.84    0.19    1.18    25  25  24  
26   A  22  PRO QB  A   32  GLY QA      0.20    4.44    0.19    3.97    4.78    4.24    0.19    4.58    25  25  25  
i.e. an upper bound of 0.2 in the second restraint.

Original comment by jurge...@gmail.com on 1 Sep 2011 at 12:03

• Added labels: Usability

[GoogleCodeExporter]

Recapping this is a new variant of the XPLOR DR format.
It hasn't been observed again.

Original comment by jurge...@gmail.com on 24 Feb 2012 at 10:04

• Changed state: WontFixForNow