CING ROG analysis and missing coordinates

[GoogleCodeExporter]

What steps will reproduce the problem?

1. Entry 2KLR in NRG-CING 
(http://nmr.cmbi.ru.nl/NRG-CING/data/kl/2klr/2klr.cing/2klr/HTML/summary.html)

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

Green:   287  ( 82%)
         -----------
Total    350  (100%)

But there are only 2x82 residues with coordinates (the sequence is 2x175). 
Shouldn't the ROG score be evaluated on residues with coordinates only ?

Original issue reported on code.google.com by bardi...@gmail.com on 8 Dec 2010 at 7:50

[GoogleCodeExporter]

This is an issue. In the future however we might validate residues without 
coordinates but say with chemical shifts. Nevertheless, I think you're right 
and I'll change it.

Note, that this week I've completed work on ranges selection which should 
improve overall scores a lot. I have yet to rerun NRG-CING so it's not 
available yet.

Thanks for your interest Benjamin!

Original comment by jurge...@gmail.com on 8 Dec 2010 at 9:13

• Added labels: Entry-2klr, Type-Enhancement, Priority-Medium, Component-CING, Usability

[GoogleCodeExporter]

Fixed in revision 887.

Please check the new data at:
http://nmr.cmbi.ru.nl/NRG-CING/data/kl/2klr/2klr.cing/2klr/HTML/summary.html)
and close this issue if you like it.

NB only this entry has been rerun in NRG-CING. It might take a couple of months 
before we do the rest.

Original comment by jurge...@gmail.com on 8 Dec 2010 at 1:10

• Changed state: Started

[GoogleCodeExporter]

Great ! Thanks.

Original comment by bardi...@gmail.com on 8 Dec 2010 at 1:35

[GoogleCodeExporter]

Original comment by jurge...@gmail.com on 8 Dec 2010 at 2:06

• Changed state: Fixed