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 [CCP4BB@JISCMAIL.AC.UK] on behalf of Antony Oliver [antony.oli...@sussex.ac.uk] Sent: 30 January 2018 11:23 To: CCP4BB@JISCMAIL.AC.UK 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: antony.oli...@sussex.ac.uk<mailto:antony.oli...@sussex.ac.uk> t: +44 (0)1273 678349
