Yes - but I meant too swap axes X Y Z yo X Z Y or whater the old inverse FFT required to work in SG 20..
On Fri, 15 May 2020 at 10:47, Ian Tickle <ianj...@gmail.com> wrote: > > Hi, that would have to be a very old map! I remember implementing the > auto-byte swap for VMS (necessary as we had both a Convex C220 running Unix > and a VAX 11/750)! > > In fact the Convex was rescued from scrap by Jim Austin and is still > working: http://www.corestore.org/convex.htm > > Cheers > > -- Ian > > > > > Cheers > > -- Ian > > > On Fri, 15 May 2020 at 09:24, Philippe BENAS < > 00000d88e888355a-dmarc-requ...@jiscmail.ac.uk> wrote: > >> Dear Bernhard, >> >> Is it an old map ? >> >> Back to the old VAX times I had to dump CCP4 maps to ascii map files, >> then swap bytes from VAX-DOS to Unix before converting them again to a CCP4 >> map format (I think I was using mapman from USF) on a Unix workstation and >> be able to read them in Frodo-Strasbourg or O. >> >> At least you could give it a shot and the ascii map file would help you >> figuring out the issue by a visual inspection of the header and sections. >> >> All the best, >> Philippe >> >> ------------------------------ >> Philippe BENAS, Ph.D. >> >> ARN UPR 9002 CNRS >> IBMC Strasbourg >> 2, Allée Konrad Röntgen >> F-67084 STRASBOURG cedex >> +33.3.8841.7109 >> E-mails: p.be...@ibmc-cnrs.unistra.fr, philippe_be...@yahoo.fr >> URLs: http://www-ibmc.u-strasbg.fr/ , >> http://www-ibmc.u-strasbg.fr/spip-arn/ >> ------------------------------ >> >> >> >> Le jeudi 14 mai 2020 à 22:45:09 UTC+2, Bernhard Rupp < >> hofkristall...@gmail.com> a écrit : >> >> >> Hi Fellows, >> >> >> >> I am failing on conversion of a ccp4 map to mtz using Sfall >> >> >> >> I provide as a scale reference a mtz with FP SIGFP and R free >> >> >> >> All cell constants and SG 20 and map headers seem to agree. >> >> >> >> But I receive following warning: >> >> >> >> *** WARNING - your map spacegroup is different to the program default one >> *** >> >> >> >> and later >> >> >> >> >>>>>> CCP4 library signal library_file:Cannot open file (Warning) >> >> raised in tmpfile() failed, opening normal file instead. <<<<<< >> >> INPUT X USED AS X >> >> INPUT Y USED AS Z >> >> INPUT Z USED AS Y >> >> >> >> Which then leads to the imho - given above- justified complaint: >> >> >> >> Check map header agrees with fixed requirements for SFcalc for this >> spacegroup. >> >> Check Nxyz 180 200 120 180 200 120 >> >> >> >> Check map header agrees with fixed requirements for SFcalc for this >> spacegroup. >> >> Check Iuvw 3 2 1 3 1 2 >> >> <B><FONT COLOR="#FF0000"> >> >> SFALL: **** Fatal disagreement between input info and map header >> >> >> >> How do I fix this ? >> >> >> >> In principle all the information is there to do the job… >> >> >> >> Many thx, BR >> >> ------------------------------------------------------ >> >> Bernhard Rupp >> >> Crystallographiae Vindicis Militum Ordo >> >> http://www.hofkristallamt.org/ >> >> b...@hofkristallamt.org >> >> +1 925 209 7429 >> >> +43 676 571 0536 >> >> ------------------------------------------------------ >> >> Many plausible ideas vanish >> >> at the presence of thought >> >> ------------------------------------------------------ >> >> >> >> ------------------------------ >> >> To unsubscribe from the CCP4BB list, click the following link: >> https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 >> >> ------------------------------ >> >> To unsubscribe from the CCP4BB list, click the following link: >> https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 >> > > ------------------------------ > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 > ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
