[ccp4bb]: maprot...

[Talal Gariani <talal.gariani@ucmp.umu.se>]

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Another cry for help...
I am using Maprot to be able to obtain the maps that go along with my
rotated molecule, I have the following script:

maprot MAPIN final_2fo-fc.ccp4 WRKOUT junk.map MAPOUT final_2fo-fc.ext
<< eof
MODE BOTH
AVER 1
ROTA matrix  0.57549 -0.76756 -0.28225  -
              -0.81734 -0.52805 -0.23047  -
               0.02786  0.36333 -0.93124
TRANSLATE    7.80339 94.86612 108.97357
end
eof

all I get back is
Unit cell volume:  295540.9
 Orthogonalisation matrices:
   68.725   0.000   0.000           0.015   0.000   0.000
    0.000 101.125   0.000           0.000   0.010   0.000
    0.000   0.000  42.525           0.000   0.000   0.024
 Real space metric tensor:
    4723.1  10226.3   1808.4      0.0      0.0      0.0
 Reciprocal space metric tensor:
  0.000212 0.000098 0.000553 0.000000 0.000000 0.000000
forrtl: error (65): floating invalid

Anyone has a clue where this floating invalid comes from, as well, why
does one must have an integer, and what is its significance,  following
the keyword AVER whereas it is not mentioned at all in the manual....?

Taraaaa!!!


--
Talal Gariani              phone office: +46-90-785-6795
UCMP                               lab: +46-90-785-6794 / -6783
Umea University                    FAX: +46-90-778 007
S-901 87 Umea, Sweden           e-mail: talal.gariani@ucmp.umu.se