Dear All
I just downloaded a PDB file (7A5V) from the EBI server, tried to run
Refmac on it and got the error:
ERROR: in chain A residue: 279 different residues have the same number
There is an error in the input coordinate file
At least one the chains has 2 residues with the same number
===> Err
nal Message-
> From: CCP4 bulletin board On Behalf Of Ian
> Tickle
> Sent: Wednesday, December 2, 2020 15:02
> To: CCP4BB@JISCMAIL.AC.UK
> Subject: [ccp4bb] Refmac not handling microheterogeneity?
>
>
> Dear All
>
> I just downloaded a PDB file (7A5V) from the EBI se
:02
> > To: CCP4BB@JISCMAIL.AC.UK
> > Subject: [ccp4bb] Refmac not handling microheterogeneity?
> >
> >
> > Dear All
> >
> > I just downloaded a PDB file (7A5V) from the EBI server, tried to run
> Refmac
> > on it and got the error:
> >
> >
s no clean solution for this and I imagine this problem goes
>> very deep into the internal representation of the model in REFMAC. That
>> said, 1 in 6 missing PDB-REDO entries is caused by this problem, so a
>> solution would be very welcome.
>>
>> Cheers,
>> Robbi
SCMAIL.AC.UK>> On Behalf Of Ian
> Tickle
> Sent: Wednesday, December 2, 2020 15:02
> To: CCP4BB@JISCMAIL.AC.UK <mailto:CCP4BB@JISCMAIL.AC.UK>
> Subject: [ccp4bb] Refmac not handling microheterogeneity?
>
>
>
.50 59.05 N
> >
> >
> >
> >
> > In case 1 OD1 A is immediately followed bu OD1B
> >
> >
> > In second case - all As listed then all Bs
> >
> >
> > Eleanor
> >
> >
> >
> >
> >