[phenixbb] TLS refinement in phenix

Partha Chakrabarti ppchak at gmail.com
Fri Jul 2 03:53:20 PDT 2010


This has been discussed a number of times in CCP4BB. TLS is nothing but a
cheaper (parameter wise) way to incorporate anisotropic aspects in the
refinement when the resolution is not as high as, lets say 1.5A. Therefore,
it is only just if the ANAISOU record is also there.

Now, it depends on the individual developers how they want to write the
output. Refmac does it in the header of the pdb, Phenix does it right after
the ATOM record. In general, try to stick to one program.

HTH, Partha

On Fri, Jul 2, 2010 at 4:08 PM, Mirage Singh Baliyan <
miragesingh at rediffmail.com> wrote:

> Dear all,
> I am refining a 2.25 A structure in phenix using TLS parameters. In the
> generated PDB there is one ANISOU record along with the ATOM record. I am
> not understanding this. can anybody help me about this
> Regards
> Mirage singh
> Protein crystallography Laboratory
> IMTECH (IMTECH is a research establishment of CSIR, india)
> Chandigarh
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> _______________________________________________
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> phenixbb at phenix-online.org
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Partha P. Chakrabarti, PhD
Strand Life Sciences Pvt. Ltd.,
5th Floor, Kirloskar Business Park,
Bellary Road, Hebbal.
Bangalore - 560024
Phone: + 91 80 40 787252
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