It should be straightforward to work out what you need to do to the
Phenix output to make it acceptable to TLSANL. All I need is the
piece of Phenix documentation that defines the TLS tensors that you
are using.
Cheers
-- Ian
On Thu, Oct 21, 2010 at 3:55 PM, Bryan Lepore wrote:
>> documentatio
On Thu, Oct 21, 2010 at 11:42 AM, Ian Tickle wrote:
> There are a number of things that don't look right here, both with the
> Refmac and the Phenix runs: [...]
interesting, thanks for these comments.
> S should not have been symmetrized
to actually display the principal axes in molscript, i me
There are a number of things that don't look right here, both with the
Refmac and the Phenix runs:
1. The Refmac T22 looks too small compared with T11 & T33, unless it
really is highly anisotropic, but this would be unusual!
Alternatively the elements of T (& possibly L) somehow got in the
wro
> documentation
then i conclude the TLS protocol in refmac is markedly different from
phenix (i know this is not strictly a ccp4 question). cf. :
refmac:
TLS
RANGE 'A 245.' 'A 252.' ALL
ORIGIN14.019 -10.476 -35.068
T 0.4974 0.0372 0.3453 0.0674 0.2984 0.0431
L 21.5463
