Hi Kevin, As Clemens pointed out it was not a phaser but a user problem. I accidently used a buster mtz file for phaser. For autoproc - phaser everything works as expected. I have attached the mtzdump of a buster mtz-file. If you could support auto-open for that it would be great. Do you see a way to include in the refmac-from-coot logfile which mtz columns were used?
Alexander -----Original Message----- From: Kevin Cowtan [mailto:[email protected]] Sent: Monday, November 30, 2009 11:02 AM To: Schiffer, Alexander R&D/DE Cc: [email protected] Subject: Re: [COOT] Automatic column asignment for refmac Hi! Coot has to be told what columns to use for different programs. We've coded fore refmac, phenix.refine and my density modification programs, but not for phaser because no-one has asked. Can you send me a dump of the mtz header with a list of the columns? Which columns would you like used by default on auto open? Should there be a difference map as well? Thanks, Kevin [email protected] wrote: > Dear Paul, > > There seems to be a problem with the automatic asignment for F and SIGF when > using a file from phaser (processed by autoproc). The FCTR column seems to be > used instead of F but there is no reference what has been used in the logfile > (sample attached). Unfortunately the only indication something went wrong is > the high R-Factor, which in this case could also be due to the fact that the > MR solution is incorrect. > > Best rega <<refmac-from-coot-0.log>> rds, > > Alexander > > > Mit freundlichen Grüßen / Best regards / Cordialement > > Dr. Alexander Schiffer > > Sanofi-Aventis Deutschland GmbH > R&D CAS Structural Biology FFM > Industriepark Hoechst > Bldg. G877, Room 029 > D-65926 Frankfurt am Main > t: +49 69 305 24896 > f: +49 69 305 80169 > w:www.sanofi-aventis.de > > ********************************************************************** > ********************************************************************** > ************************* Sanofi-Aventis Deutschland GmbH · Sitz der > Gesellschaft: Frankfurt am Main · Handelsregister: Frankfurt am Main, > Abt. B Nr. 40661 Vorsitzender des Aufsichtsrats: Hanspeter Spek - > Geschäftsführer: Dr. Martin Siewert (Vorsitzender), Ulf Bialojahn, Dr. > Matthias Braun, Peter Guenter, Prof. Dr. Dr. Werner Kramer, Dr. Klaus > Menken, Dr. Heinz Riederer > ********************************************************************** > ********************************************************************** > ************************* >
refine.mtzlog
Description: refine.mtzlog
