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Re: [ccp4bb]: AmoRe Solution problems
try this
lsqkab > app.out \
WORKCD originalmodel.pdb\
LSQOP end.pdb\
<< END
title ** Obtaining the solutions in PDB format **
ROTAT EULER 131.78 76.96 70.60
TRANS 33.62 17.77 45.58
output XYZ
END
regards
thiyaga
Yunqing Liu <yqliu@sibs.ac.cn> wrote:
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Dear all,
Does anyone know how to apply the AmoRe solution results to the original starting model ?
I can't find such function in the AmoRe.
After the reorientation function in the AmoRe the program gives the solution list as following:
SOLUTION_SHIFT 1 271.88 92.23 121.83 4.87 81.10 -49.42 12.8 55.9
I use the CCP4 program pdbset to reorientate the original starting model like this
Pdbset xyzin start.pdb xyzout end.pdb <rotate euler 271.88 92.23 121.83
shift 4.87 81.10 -49.42
eof
But the reorientated result seems wrong. I am eager for any advise.
And what about the solution list give by CNS after its translate function. I am just confused how to apply the solution results to original starting model Could anyone h!
elp me?
CNS translation results like this
Result th1 th2 th3 x y z monitor packing
I use pdbset program to reorientate the original starting model like this:
Pdbset xyzin start.pdb xyzout end.pdb <Rotate euler th1 th2 th3
Shift x y z
eof
But the end.pdb doesn't accord to the translated model produced by CNS own. What's wrong with me? Could anyone point out?
Thanks very much!
Yunqing Liu
yqliu@sibs.ac.cn
2003-04-18
===================================================
== S. Thiyagarajan ==
== Research Scholar ==
== Department of Crystallography and Biophysics ==
== University of Madras, Guindy Campus ==
== Chennai - 600 025. India ==
===================================================
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