I have used phaser to successfully solve a structure in P2x2x2x that had pseudo-translational symmetry. It was unable to correctly choose the space group, but after running phaser in all 8 possible space groups and inspecting the best solutions in each the correct solution was clear. Furthermore, it was the only MR program that worked. Was I just lucky?
Sue
>
> On 9 Feb 2011, at 22:27, Phil Jeffrey wrote:
>
>> Is there a program that does ? I was under the impression that they were all equally good/bad at this, because any solution that agrees with the PTS has quite a high score and any solution that doesn't has a low score, irrespective of the correctness of the placement of the molecules.
>>
>> In one case that ritually defeats me with quite strong pseudo-centering, this seems to be true for heavy atom searches also.
>>
>> Phil Jeffrey
>> Princeton
>>
>> On 2/9/11 5:08 PM, Jon Schuermann wrote:
>>> I would NOT use Phaser for MR with PTS present. It doesn't handle it
>>> correctly yet, since the likelihood targets don't account for PTS.
>>> Others may be able to explain it better.
>
Dr. Sue A. Roberts
Dept. of Chemistry and Biochemistry
University of Arizona
1041 E. Lowell St., Tucson, AZ 85721
Phone: 520 621 8171
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http://www.biochem.arizona.edu/xray
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