[phenixbb] Death by Big-ass structure&In-Reply-To=62619305-F45C-4B18-BF55-6AC08CA855D8 at lbl.gov
Peter Zwart
PHZwart at lbl.gov
Wed Jun 13 08:40:48 PDT 2007
NOt sure what happens.
I have to investigate.
Could you send me example data and model? I'll have a look and see
where the problem lies.
Thanks
Peter
2007/6/13, Kate Kavanagh <Kate.Kavanagh at sgc.ox.ac.uk>:
> Hi Peter,
>
> The reindexing works fine but when I try to convert back to R3:H all atoms with ANISOU records are given B-factors of -79.86:
>
> ATOM 1 N MET A 1 16.402 60.069 44.768 1.00-78.96 N
> ATOM 2 CA MET A 1 16.316 58.621 44.978 1.00-78.96 C
> ATOM 3 CB MET A 1 17.622 57.922 44.573 1.00-78.96 C
> ATOM 4 C MET A 1 15.966 58.300 46.432 1.00-78.96 C
> ATOM 5 O MET A 1 16.196 59.115 47.326 1.00-78.96 O
> ATOM 6 N PHE A 2 15.408 57.114 46.661 1.00-78.96 N
> ATOM 7 CA PHE A 2 15.047 56.686 48.013 1.00-78.96 C
> ATOM 8 CB PHE A 2 13.750 55.866 48.016 1.00-78.96 C
> ATOM 9 CG PHE A 2 13.323 55.436 49.391 1.00-78.96 C
> .....
>
> And since TLS refinement has been used, all protein atoms have ANISOU records.
>
> Any suggestions?
>
> Kate
>
> _______________________________________________
> phenixbb mailing list
> phenixbb at phenix-online.org
> http://www.phenix-online.org/mailman/listinfo/phenixbb
>
More information about the phenixbb
mailing list