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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 a shame phaser does not read the sres-file directly ;-)
Given that you are trying to phase on a Ta-cluster I assume that your
resolution is too poor for phasing with shelxe? Did you try the
autobuilding option (-a) with a large number of cycles? Although make
sure you download the latest version of shelx c/d/e from the shelx
web-site. sbgrid are not really the fastest with updating their
distribution, at least not according to the versions listed on their
web site.
Best,
Tim
On 06/27/2013 12:15 AM, Kevin Jude wrote:
> 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 = 11.7 FIX OFF
>
> but get the error: INPUT ERROR: Type T not element or cluster
>
> We've tried a few permutations of columns 14-15 and 78-79 of ha.pdb
> but phaser hasn't been able to successfully interpret the
> scattering type. I haven't been able to find detailed information
> about the format of the input pdb file with the HA sites to bypass
> this error.
>
> We're using phaser from ccp4-6.3.0 distributed by sbgrid.
>
> Any help will be much appreciated,
>
> Kevin Jude
>
- --
- --
Dr Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen
GPG Key ID = A46BEE1A
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