Hi

XCHEMBB, cc'd should be able to help. Please join the mailing list @ https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=XCHEMBB&A=1

Are the refinement problems are occuirng during the export step, not aftwerwards?

The logs are typically located in visit/processing/analysis/initial_models/Refine_000X and visit/processing/analysis/initial_models/cootOut/Refine_X.

The logs in the cootOut folder are refmac  std error/ std out. The quick_refine logs in Refine_000X are logs form the pandda jiffy script, giant.quick_refine.

Please contact your local contact/ XCHEMBB for further advice.

Thanks

Elliot

From: CCP4 bulletin board [[log in to unmask]] on behalf of Antony Oliver [[log in to unmask]]
Sent: 30 January 2018 11:23
To: [log in to unmask]
Subject: [ccp4bb] XCE - Refinement Fails

I am trying to convince XChemExplorer to refine my PANDDA models – i.e. those which have had ligands saved / placed into promising density. However, the large majority of refinement jobs (started by exporting all PANDDA models) simply fail.

 

Is there a log file or something I can look at to see where any obvious problems may have arisen?

 

With thanks,

 

Antony.

 

- - - - - - - - - - - - - - - -

Dr Antony W Oliver

Senior Research Fellow (Faculty)

CR-UK DNA Repair Enzymes Group

Genome Damage and Stability Centre

Science Park Road

University of Sussex

Falmer, Brighton, BN1 9RQ

United Kingdom

 

http://www.sussex.ac.uk/lifesci/oliverlab

http://tinyurl/aw-oliver

 

e: [log in to unmask]

t: +44 (0)1273 678349