VuisterLab / cing

Automated Validation of NMR Structures
http://nmr.le.ac.uk
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Residue selection in Analysis Cing interface is not being used by Cing server #345

Open GoogleCodeExporter opened 9 years ago

GoogleCodeExporter commented 9 years ago
What steps will reproduce the problem?
1. In Analysis open up Structure --> CING
2. After creating a run, in the Run Settings tab deselect some residues.
3. Submit the Project.

What is the expected output? What do you see instead?
The deselected residues should be ignored

What version of the product are you using? On what operating system?
Analysis 2.2.2

Please provide any additional information below.
A sample project created by Analysis when submitting a project is at:

http:/www2.ccpn.ac.uk/cing/CcpnCourse_Cing.tgz

This has the first seven residues deselected, as you can see in the
ccp/nmr/NmrCalc/auto***.xml file.

The Cing residue output is at:

https://nmr.cmbi.ru.nl/tmp/cing/ccpnAp/HmxzU9/__CcpnCourse3c.cing/GI/HTML/Dihedr
als/DihedralByResidue.html#_top

Original issue reported on code.google.com by wab...@gmail.com on 1 May 2013 at 10:19

GoogleCodeExporter commented 9 years ago
Thanks Wayne for submitting the issue here.

I think we might not have coded for the functionality to take CCPN's residue 
selection. I do know it's a parameter in the GUI and in the robot interface you 
can give when submitting to iCing though.

So I think you're asking for an enhancement.

Original comment by jurge...@gmail.com on 15 May 2013 at 5:59