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Re: [ccp4bb]: selenomet (MSE) and Refmac5

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the atom name is misaligned - the element symbol "SE" should
be columns 1 and 2 of the atom name, i.e.:

> ATOM    324 SE   MSE X  41      28.681  35.384  34.700  1.00 20.00  34

and *not*:

> ATOM    324  SE  MSE X  41      28.681  35.384  34.700  1.00 20.00  34

i assume refmac derives the element from the atom name
and then (correctly) interprets " SE " as sulfur
(selenium is "SE  ")

--dvd

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                        Gerard J.  Kleywegt
Dept. of Cell & Molecular Biology  Bolshevik University of Uppsala
                Biomedical Centre  Box 596
                SE-751 24 Uppsala  SWEDEN

    http://xray.bmc.uu.se/gerard/  mailto:gerard@xray.bmc.uu.se
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