Re: [ccp4bb] Refmac not handling microheterogeneity?

2020-12-02 Thread Ian Tickle
; > > > > > > In case 1 OD1 A is immediately followed bu OD1B > > > > > > In second case - all As listed then all Bs > > > > > > Eleanor > > > > > > > > > > On Wed, 2 Dec 2020 at 14:3

Re: [ccp4bb] Refmac not handling microheterogeneity?

2020-12-02 Thread Keitaro Yamashita
ehalf 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? > > > Dear All >

Re: [ccp4bb] Refmac not handling microheterogeneity?

2020-12-02 Thread Ian Tickle
his 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, >> Robbie >> >> >

Re: [ccp4bb] Refmac not handling microheterogeneity?

2020-12-02 Thread Eleanor Dodson
: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: > > > >

Re: [ccp4bb] Refmac not handling microheterogeneity?

2020-12-02 Thread Robbie Joosten
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 th

[ccp4bb] Refmac not handling microheterogeneity?

2020-12-02 Thread Ian Tickle
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 ===>