Actually I think it is pretty dangerous to trust the TLS stuff in the PDB header - there is a muddle between B_residual and B_merged and no adequate description in the header.
Unless you are planning on doing many many repeats I would re-refine before checking the map... eleanor On 8 March 2017 at 14:16, Eleanor Dodson <[email protected]> wrote: > TLSANL? > Eleanor > > On 8 March 2017 at 14:08, Nicholas Keep <[email protected]> > wrote: > >> It would be nice to be able to run zero cycles of refmac to get a map etc >> direct from a PDB file. >> >> However due the PDB requiring the TLS component of B factor to be >> included this does not work. >> >> Is there software to remove the TLS component so a zero cycle of refmac >> can be run. >> >> Best wishes >> >> NIck >> >> >> -- >> Prof Nicholas H. Keep >> Executive Dean of School of Science >> Professor of Biomolecular Science >> Crystallography, Institute for Structural and Molecular Biology, >> Department of Biological Sciences >> Birkbeck, University of London, >> Malet Street, >> Bloomsbury >> LONDON >> WC1E 7HX >> >> email [email protected] >> Telephone 020-7631-6852 (Room G54a Office) >> 020-7631-6800 (Department Office) >> Fax 020-7631-6803 >> If you want to access me in person you have to come to the >> crystallography entrance >> and ring me or the department office from the internal phone by the door >> > >
