Thanks to Jason Busby and Bernhard Rupp for pointing out that the
scattering type should be in columns 77-78, not 78-79. Thanks to others
for tips that may well prove useful!
kmj
On Wed, Jun 26, 2013 at 3:15 PM, Kevin Jude wrote:
> We are trying to get SAD phases using a Ta6Br12 cluster using
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Dear Kevin,
the phaser developers would probably give you a precise answer. In the
meantime I would debug this by setting each of the three occurances of
TX to UX (or anything else), one after the other, to check which of
them is misinterpreted.
It's
We are trying to get SAD phases using a Ta6Br12 cluster using phaser.
Sites were found with ShelxD and we have set the ha.pdb in the form:
ATOM 1 TX HAT 1 24.569 195.940 54.912 1.00 20.00
TX
and we define the scatterer in phaser.inp with:
SCATTERING TYPE TX FP = -25.31 FDP =
