Hi Kristoffer Thanks for the error report. I'll look into it and get back to you.
Cheers -- Ian On Tue, 11 Oct 2022 at 17:09, Kristoffer Lundgren < 00008a31f470d88b-dmarc-requ...@jiscmail.ac.uk> wrote: > Dear all, > > > > I am trying to run EDSTATS on a neutron structure containing a manganese > ion (https://www.rcsb.org/structure/7KKW), but either I am doing > something wrong or something is broken. When using EDSTATS supplied with > CCP4 8.0 I end up with the error message: > > > > mtzfix: WARNING: Output file is corrupt so deleted. > > > > ERROR in mtzfix: stopping. > > > > > > Using EDSTATS supplied with CCP4 7.0, the error message instead becomes: > > > > ERROR in radius calculation: max iterations. > > > > ERROR in RADINT: 2 > > > > > > Oddly enough, when changing MN to FE in the model, EDSTATS in CCP4 7.0 > works fine. EDSTATS in CCP4 8.0 with FE however again gives me the error > message: > > > > mtzfix: WARNING: Output file is corrupt so deleted. > > > > ERROR in mtzfix: stopping. > > > > > > Any help or advice would be greatly appreciated! > > > > Kind regards > > Kristoffer Lundgren > > ------------------------------ > > To unsubscribe from the CCP4BB list, click the following link: > 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/
