Mike,
Here are some possible solutions to find the NCS operator. I like version
#2 the most.
- graphical: You said you have O. You can use the LSQ_explicit command.
Then you should use the LSQ_improve command. This has one advantage that
you can actually see on the screen how the models match up.
- you could use Gerard's 4d_lsqman which basically does the same thing,
but doesn't display the results graphically. Use the option EXplicit.
Then, once this is done you see the transformation matrix. After that the
SHow command shows some other neat values.
- you can use X-PLOR and use the "ncs restraints" method. This will
calculate the transformation matrix each time.
Mike I think you mean you want to use RAVE when you say you want
to use O?
Good luck,
Gus
On 10 May 1996, M. Hough wrote:
> to clarify - I have the Amore translation function results, and the consequent
> positions of each molecule within the asymmetric unit. I wish to average the
> electron density maps over the two identical molecules, and over the identical
> subunits within the hemoglobin molecules themselves. If I can find the NCS
> operators then I can proceed to mask overlay in O
>> Mike H
>
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Agustin de la Calle |
X-ray Crystallography | voice:(617) 632-4754
Harvard Medical School |
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