Re: [ccp4bb] AW: [ccp4bb] AW: [EXTERNAL] Re: [ccp4bb] real real-space-refinement

2020-07-30 Thread Robert Nicholls
To paraphrase from our 2018 Acta Cryst D74(6) paper: “There has been debate as to whether refinement should be performed in real space or reciprocal space; both approaches have advantages and disadvantages. In real space, refinement can be performed locally, which has advantages for

[ccp4bb] AW: [ccp4bb] AW: [EXTERNAL] Re: [ccp4bb] real real-space-refinement

2020-07-30 Thread Schreuder, Herman /DE
: 30 July 2020 13:28:00 To: ccp4bb Subject: [ccp4bb] AW: [ccp4bb] AW: [EXTERNAL] Re: [ccp4bb] real real-space-refinement Hi everybody, Thank you very much for the many tips! I discovered that in Coot by clicking on the N- and C-terminus of a protein chain, one can indeed run a real-space

[ccp4bb] AW: [ccp4bb] AW: [EXTERNAL] Re: [ccp4bb] real real-space-refinement

2020-07-30 Thread Schreuder, Herman /DE
Hi everybody, Thank you very much for the many tips! I discovered that in Coot by clicking on the N- and C-terminus of a protein chain, one can indeed run a real-space refinement on the complete chain and the same is true for a rigid body fit. However, subsequent refinement with Refmac did not