superpose has two options undfer CCP4i.
Choose match numbered residues ( not SSM)
Then you must give two files to match - in your case that means naming
your model twice.
Then say you want to match residues 1 to 20 Chain A to residues 1 to 20
CHAIN B tever span you want to fit.
It will give you the rotation matrix and translatioor n vector
Eleanor
or wha
On Mon, 25 Jul 2011 14:31:33 -0400, zhang yu <[log in to unmask]> wrote:
> Thanks for all the reply. I am able to use "phenix.find_ncs" find NCS
> operators for all the chains. But it doesn't give a NCS matrix between
> whole
> molecules in ASU. Is that right or I missed something?
>
> In "SUPERPOSE" of CCP4, How to ask the program to calculate the NCS
> operator? It asks me to input two structures and will output another pdb
> file.
>
> Yu
>
> 2011/7/25 Frederic VELLIEUX <[log in to unmask]>
>
>> You need to specify which format (i.e. for which program) since the
>> conventions used are different. I personally use suppos
>> which provides a rotation matrix plus translation vector. Row by row
for
>> the matrix. Some programs use a column by column approach, the
transpose
>> of
>> the rotation
>> matrix, or a set of 3 angles (with several conventions possible)
>>
>> > Message du 25/07/11 19:24
>> > De : "zhang yu"
>> > A : [log in to unmask]
>> > Copie à :
>> > Objet : [ccp4bb] Non-crystallography symmetry operator
>> >
>> > Hi,
>> >
>> > Does any one know which software could calculate and output
>> > non-crystallography symmetry operator?
>> >
>> > I am working on a structure with two molecules in one ASU, and two
>> identical
>> > subunits in each of one molecule. I would like to know the
>> > non-crystallography operator of the two molecules, and also NCS
>> > operator
>> of
>> > two subunits in the same molecules.
>> >
>> > Thanks
>> >
>> > Yu
>> >
>> > --
>> > Yu Zhang
>> > HHMI associate
>> > Waksman Institute, Rutgers University
>> > 190 Frelinghuysen Rd.
>> > Piscataway, NJ, 08904
>> >
>>
|