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refining with anomalous scatterers

Phoebe Rice phoebe at JUPITER.NIDDK.NIH.GOV
Mon Mar 25 13:44:50 EST 1996

1) Is there an easy way to get xplor to calculate an
    anomalous diff. map? (I have an old round-about
    way, but since I'm going to keep F+/F- separate
    this time it should be easy!)

2) Does anybody have nonbonded parameters for Cd++?
    Its not included in TOPPAR/parameter.elements.

3) We are assuming that the "IMAGinary contribution"
    to the scattering data is delta f'', and that
    c should be corrected by delta f'.  However the
    example in the manual lists some number for Fe
    which doesn't match anything in the tables (must
    be for non-standard lambda?) and has no 
    correction applied to c.  Are we assuming 

                        Phoebe Rice

                        (301) 402 4497 (phone)
                        (301) 496 0201 (fax)
                        Phoebe at vger.niddk.nih.gov

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