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

------------------------------------------------------

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at the presence of thought

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