[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]
[ccp4bb]: AmoRe Solution problems
*** For details on how to be removed from this list visit the ***
*** CCP4 home page http://www.ccp4.ac.uk ***
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 <<eof
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 help 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 <<eof
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