Re: [ccp4bb] Phenix/refmac incompatibility?

2021-12-31 Thread Eleanor Dodson
Robbie joosten says it is fixed - a bug seen by pdb- redo from an old version of Phoenix. Message him for more detail... cheers Eleanor On Fri, 31 Dec 2021 at 22:27, Pavel Afonine wrote: > Hi All, > who produced this file? If phenix.refine added water with chain S given > that protein chains na

Re: [ccp4bb] Phenix/refmac incompatibility?

2021-12-31 Thread Pavel Afonine
Hi All, who produced this file? If phenix.refine added water with chain S given that protein chains named S were already in that model, then it is a bug that I need to fix. Cheers, Pavel On Thu, Dec 30, 2021 at 11:05 AM Eleanor Dodson < 176a9d5ebad7-dmarc-requ...@jiscmail.ac.uk> wrote: > I am

Re: [ccp4bb] Phenix/refmac incompatibility?

2021-12-31 Thread Eleanor Dodson
Thanks Robbie - so we dont need to bother much about it... E On Fri, 31 Dec 2021 at 15:21, Jon Cooper < 488a26d62010-dmarc-requ...@jiscmail.ac.uk> wrote: > I was going to suggest returning to this topic in 3 months time. It has > that sort of quality ;-? > > > Sent from ProtonMail mobile > >

Re: [ccp4bb] Phenix/refmac incompatibility?

2021-12-31 Thread Jon Cooper
I was going to suggest returning to this topic in 3 months time. It has that sort of quality ;-? Sent from ProtonMail mobile Original Message On 31 Dec 2021, 15:17, Robbie Joosten wrote: > Hi Eleanor, > > This seems to be a caused by a bug in an older version of Phenix. We use

Re: [ccp4bb] Phenix/refmac incompatibility?

2021-12-31 Thread Robbie Joosten
Hi Eleanor,This seems to be a caused by a bug in an older version of Phenix. We used to see quite a few examples of this on the PDB-REDO server, but not recently. Renumbering is the only solution I'm afraid.Cheers,RobbieOn 30 Dec 2021 20:05, Eleanor Dodson <176a9d5ebad7-dmarc-requ...@jiscmail.a