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[ccp4bb]: "locked" translation search
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I have a P212121 dataset with four molecules in the asu. I am
trying to place my model molecules in the cell with Amore. But the
correlation coefficients (and R factors) are poor for both rotation and
translation search hits (no peak really stands out above background). I
used "rfcorr" to weed out poor/crystallographic hits in the cross-rotation
search so that I could work with a smaller set of cross-rotation hits that
I could visually inspect with a display program. I *think* I have one
cross-rotation peak (hit) that I can use. This peak is related by a
twofold to another (theta, phi, chi= 2, 23, 180).
When I do a straightforward translation search with my "best"
hits, I get two molecules which bump into one another. This leads me to
believe that things are going wrong during the translation search (due to
the poor quality of peaks.)
Can Amore to do a 'locked' translation search so that it
acknowleges my two-fold while doing the search (and therefore increase
signal-to-noise)? Any help will be greatly appreciated.
University of Rochester