[ccp4bb]: beta release of refmac5 - addendum

[M.D.Winn@dl.ac.uk (M.D.Winn)]

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For those who want to try out the TLS refinement option
in refmac5, and want to analyse the results with TLSANL,
you will need the new version of TLSANL available
at ftp://ccp4a.dl.ac.uk/pub/ccp4/prerelease, files tlsanl.f
tlsanl.inc and tlsanl.html

Note, you need to edit the line in TLSOUT from

! Output from REFMAC

to simply 

REFMAC

If you don't, you will get incorrect results. You can then
run the new TLSANL as:

tlsanl XYZIN foo_in.pdb TLSIN foo_in.tls XYZOUT foo_out.pdb <<eof
BRESID
END
eof

You can then amaze your friends with anisotropic U factors at 2A
resolution ;-)

Any problems/feedback on TLS to me.

Martyn

> Dear All,
> 
> New version of refmac (5.0.*) is now available in a beta test version
> from
> york's ftp site. It has following features.
> 1) New flexible dictionary. Protin is not needed any more.
> 2) TLS refinement (overall B values of rigid bodies)
> 3) New bulk solvent correction.
> 4) It writes refinement statistics to the output coordinate file
> for deposition purposes.


-- 


**************************************************************************
*                                                                        *
*                  Dr. Martyn Winn                                       *
*                                                                        *
*      Daresbury Laboratory, Daresbury, Warrington, WA4 4AD, ENGLAND     *
*      Tel: +44 1925 603455    E-mail: m.d.winn@ccp4.ac.uk (personal)    *
*      Fax: +44 1925 603124    E-mail: ccp4@ccp4.ac.uk  (CCP4 problems)  * 
*          URL: http://www.dl.ac.uk/CCP/CCP4/martyn/martyn.html          *
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