HI all,
Just went back to a project and oddly having about the same problem (which
I do not think existed before):
Coot 0.8-pre revision 4792 on 10.6.8
I have a modified residue, but has partial occupancy, so the residues have
different names for A and B.
Just thought I'd share (and Scott - who is this person?).
Thanks,
Dave
##############
Error:
ERROR 39 READ: Duplicate sequence number and insertion code.
LINE #4250
ATOM 1597 N ACYS A 238 30.800 -10.177 46.748 0.29 15.31
N
Spacegroup: C 2 2 2
There was a coordinates read error
##############
What's in the .pdb file around line 4250:
ATOM 1596 H BCSO A 238 30.629 -10.803 47.321 0.71 16.21
H
ATOM 1597 N ACYS A 238 30.800 -10.177 46.748 0.29 15.31
N # <--- line 4250
ANISOU 1597 N ACYS A 238 1771 1072 2973 141 534 201
N
On Wed, Nov 6, 2013 at 3:27 PM, Scott Classen <sclas...@lbl.gov> wrote:
> Hello COOTers,
>
> A colleague (not on the coot mailing list… shame on him) has a problem.
> His heterodimer is composed of alpha and beta subunits that are 95%
> identical, and because of his chosen space group, end up packing in the
> crystal lattice such that some residue positions (the 5% that are not
> identical and that are sufficiently well ordered to see differences) have
> mixtures of two different amino acids at the same position. How should he
> deal with this in coot?
>
> Thanks,
> Scott
>
>
>
> ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
> Scott Classen, Ph.D.
> SIBYLS Beamline 12.3.1
> sibyls.als.lbl.gov
> Advanced Light Source
> Lawrence Berkeley National Laboratory
> 1 Cyclotron Rd
> MS6R2100
> Berkeley, CA 94720
> cell 510.206.4418
> desk 510.495.2697
> beamline 510.495.2134
> ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
>
>
--
David Shin, Ph.D
Lawrence Berkeley National Labs
1 Cyclotron Road
MS 83-R0101
Berkeley, CA 94720
USA
--
David Shin, Ph.D
Lawrence Berkeley National Labs
1 Cyclotron Road
MS 83-R0101
Berkeley, CA 94720
USA
