Hi, If you indeed run phenix.refine --show-defaults=3 you will see that many parameter names have been changed as compared to 1.20, e.g. refinement.input.xray_data.r_free_flags.generate has been replaced by data_manager.fmodel.xray_data.r_free_flags.generate
I haven't checked all of your parameters, but I think you will be able to find the corresponding new names in a similar way. I went over the unrecognized parameters for my scripts, adapted them accordingly and it worked. All the best, Elke From: "Dennis Brookner" <[email protected]> To: "CCP4BB" <[email protected]> Sent: Friday, April 12, 2024 4:49:39 PM Subject: [ccp4bb] Parameters for phenix.refine in phenix 1.21 Hey all, I’m wondering if anyone has an example .eff script that works with phenix.refine 1.21. My software package writes a parameters.eff file to be run through phenix.refine, and it works fine with phenix 1.20, but throws the error seen below with phenix 1.21 due to missing parameters. Based on the information here: [ https://phenix-online.org/documentation/reference/refinement.html#list-of-all-available-keywords | https://phenix-online.org/documentation/reference/refinement.html#list-of-all-available-keywords ] I have gathered that the parameters listed below are in fact not recognized by phenix 1.21’s phenix.refine. However, I’m unable to locate the new versions of these parameters! Does anyone know what is going on here? Best, Dennis Here’s the error message thrown by phenix.refine: Unrecognized PHIL parameters: ----------------------------- refinement.input.pdb.file_name (file "params.eff", line 9) refinement.input.xray_data.file_name (file "params.eff", line 12) refinement.input.xray_data.labels (file "params.eff", line 13) refinement.input.xray_data.r_free_flags.generate (file "params.eff", line 15) refinement.input.xray_data.force_anomalous_flag_to_be_equal_to (file "params.eff", line 17) refinement.output.prefix (file "params.eff", line 24) refinement.output.serial (file "params.eff", line 25) refinement.output.serial_format (file "params.eff", line 26) Sorry: Some PHIL parameters are not recognized by phenix.refine. Please run this program with the --show-defaults option to see what parameters are available. To unsubscribe from the CCP4BB list, click the following link: [ https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 | https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 ] ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
