[buster-discuss] Problem in Buster 2.10 - ANISOU record
Jose Artur Brito
jbrito at itqb.unl.pt
Fri Nov 4 17:25:19 CET 2011
Dear All,
I'm using Buster 2.10 to refine a structure and I have a question:
- in my input PDB there is no ANISOU record;
- I'm running the command: refine -p mypdb.pdb -m mymtz.mtz -autoncs
-sim_swap_equiv_plus -M MissingAtoms nmiss=1200 -M TLSbasic -L -d 31102011
- Buster's output refine.pdb comes with a ANISOU record for all atoms in
the pdb
Where does the ANISOU record comes from????
It is a 2.5A resolution structure, SG P212121, 6 molecules in the AU and
the input pdb file doesn't have any hydrogens (although they were added
by Reduce to check in Coot).
Any hints/suggestions are most welcome.
Cheers,
Jose
--
************************************************
* José Artur Brito, PhD *
* *
* Post-Doctoral Fellow *
* Membrane Protein Crystallography Lab *
* Instituto de Tecnologia Química e Biológica *
* Oeiras - Portugal *
* *
* Tel.: +351.21.446.97.61 *
* Fax: +351.21.443.36.44 *
* *
* E-mail: jbrito at itqb.unl.pt *
* URL: http://mx.itqb.unl.pt *
************************************************
More information about the buster-discuss
mailing list