Re: [ccp4bb]: AMoRe Problem

["Eleanor J. Dodson" <ccp4@ysbl.york.ac.uk>]

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Neratur K Lokanath wrote:
> 
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> Dear all,
> 
> I have crystallized a protein in cubic system of F432
> spacegroup. And I have collected the synchrotron data for
> the same. Now I am solving the structure using AMoRe, MR
> program. While I running the AMoRe I foud this messge
> 
> AMORE:  Symmetry limit(2*NSYMP+1) must be =< NM - reset
> HKLM
> 
> As in AMoRe document, I put command "TABLING_MR 5400000" in
> the command file, even then it prints the same.
> 
> Could I know what is the reason?
> 
> Thanks in advance,
> 
> Lokanath
> 
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This is rather puzzling - the tabfun section of Amore does not use  the
symmetry? It is working with the model with pseudo-symmetry P1 as a
rule.
 But the symmetry default limit is 25.

 You may need to reset HKLM: the default is:
HKLM 219 219 219 25 

At the end of sortfun it tells you something like this:
 for an I4132 symmetry
 Current "cell" =    148.120   148.120   148.120
 Symmetry counter set to 2NSMP + 1: =   49
 Maximum required H K L  124  124  124
 Maximum required Grid   252  252  252
 Need to reset H K L NM limits
 hm  km  lm  nh  nk  nl  nm   219  219  219  440  440  440   25
 hmm kmm lmm nhh nkk nll nmm  124  124  124  252  252  252   49
 

 But I did think that the new version fixed this automatically..


Puzzled! Can you send script and log?
Eleanor