[ccp4bb] AW: [EXTERNAL] Re: [ccp4bb] Change dimer assembly in ASU

2019-03-08 Thread Herman . Schreuder
An: CCP4BB@JISCMAIL.AC.UK Betreff: [EXTERNAL] Re: [ccp4bb] Change dimer assembly in ASU I tend to use PISA for suggesting biologically relevant complexes. And you can modify the MR solution to replace a molecule with any symmetry generated copy of it.. But check Phaser has put your molecule

Re: [ccp4bb] Change dimer assembly in ASU

2019-03-05 Thread Eleanor Dodson
I tend to use PISA for suggesting biologically relevant complexes. And you can modify the MR solution to replace a molecule with any symmetry generated copy of it.. But check Phaser has put your molecule reasonably close to the origin. On Mon, 4 Mar 2019 at 19:52, Randy Read wrote: > Dear

Re: [ccp4bb] Change dimer assembly in ASU

2019-03-04 Thread Randy Read
Dear Ezequiel, There is nothing special about which particular symmetry copies a molecular replacement program chooses, so there is no good reason to stick to those symmetry copies. On the other hand, there are very good reasons to present a molecule that is as close as possible to what is

[ccp4bb] Change dimer assembly in ASU

2019-03-04 Thread Eze Chivi
Dear CCP4bb community: My crystal is a heterodimeric complex. I solved the structure using MR with a related structure (containig the dimer), using a highly automated pipeline. However, the MR solution is not the dimer of biological relevance. The experimentally validated dimer is formed