Re: [ccp4bb] AW: [ccp4bb] error in phenix refinement

2017-01-03 Thread Vikram Dalal
I am very thankful to all. >

[ccp4bb] AW: [ccp4bb] error in phenix refinement

2017-01-03 Thread Herman . Schreuder
-Ursprüngliche Nachricht- Von: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] Im Auftrag von Paul Emsley Gesendet: Dienstag, 3. Januar 2017 15:30 An: CCP4BB@JISCMAIL.AC.UK Betreff: Re: [ccp4bb] error in phenix refinement On 03/01/2017 14:10, Vikram Dalal wrote: > Hi all, > > > I ha

Re: [ccp4bb] error in phenix refinement

2017-01-03 Thread Pavel Afonine
Your PDB file contains atoms that are less than 0.001 A apart. This doesn't look like a good model. Please consider fixing it first. Pavel P.S.: There is Phenix mailing list for Phenix related questions. On Tue, Jan 3, 2017 at 6:10 AM, Vikram Dalal wrote: > Hi all, > > > I have added the water

Re: [ccp4bb] error in phenix refinement

2017-01-03 Thread Paul Emsley
On 03/01/2017 14:10, Vikram Dalal wrote: Hi all, I have added the water, EDO and GOL in coot in a protein structure. I got this error message (Fig 1) after running the phenix refinement. Hello Vikram, A flicker of confusion crosses my brow as I contemplate the on-going thought process tha