Hi Natalia, Are you using old settings to refine your new structure? If you're using the GUI, try starting with a new job (e.g. clicking on phenix.refine instead of restoring an old job). If you're using the CLI, you can send me your parameter file (ends with .eff) and I can take a look. There could be a selection for Li that is floating around if you're using the same parameter file from and earlier job. Let me know if that doesn't work for you. Thanks! -- Billy K. Poon Research Scientist, Molecular Biophysics and Integrated Bioimaging Lawrence Berkeley National Laboratory 1 Cyclotron Road, M/S 33R0345 Berkeley, CA 94720 Tel: (510) 486-5709 Fax: (510) 486-5909 Web: https://phenix-online.org On Thu, Feb 18, 2016 at 5:00 PM, Natalia Ketaren < [email protected]> wrote:
Hello,
I’m building a structure at the moment, and I have since removed lithium ions from structure. However, when I go to refine using phenix, I get the error message: “No atom selected: name LI and Chain F and rename LI resseq 8”
I’ve tried using earlier files, prior to my addition of lithium ions and I still get the same error message. I’m using Phenix version 1.10.1-2155-000 Could anyone help me overcome this error message?
Cheers,
Nat
_____________________________ Natalia E. Ketaren, PhD Research Associate Rout Laboratory Box 213 The Rockefeller University 1230 York Avenue New York, NY 10065
Tel: (212) 327-8136 Fax: (212) 327-7193 [email protected] website: http://lab.rockefeller.edu/rout/ NCDIR: http://www.ncdir.org/
_______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb Unsubscribe: [email protected]