Re: [ccp4bb] help with TNCS + MR

2019-03-15 Thread Almudena Ponce Salvatierra
Dear Randy, thank you very much, I had a look at it and it seems that fortunately it was one of the "straighforward" cases. Best, Almudena El jue., 14 mar. 2019 a las 14:48, Randy Read () escribió: > Dear Almu, > > We have a discussion on the Phaser Wiki about some of the possibilities > for t

Re: [ccp4bb] help with TNCS + MR

2019-03-14 Thread Eleanor Dodson
Sorry to plug MOLREP to a Phaser Q, but it does have some simple tNCS functions which work well for straightforward cases. Something to consider: tNCS can make spacegroup determination based on axial reflection absences tricky so set a flag to test all SGS in the pointgroup. For example: (A transl

Re: [ccp4bb] help with TNCS + MR

2019-03-14 Thread Randy Read
Dear Almu, We have a discussion on the Phaser Wiki about some of the possibilities for tNCS, what you should look for, and what Phaser can handle: http://www.phaser.cimr.cam.ac.uk/index.php/Molecular_Replacement#Translational_Non-crystallographic_Symmetry. As it explains, if you have one major

[ccp4bb] help with TNCS + MR

2019-03-14 Thread Almudena Ponce Salvatierra
Dear all, I have a dataset with strong TNCS and I would like to know if there are a "series of steps" that I could follow in order to find out whether I can solve my structure or not. I see on the Phaser wiki that structure determination in the presence of TNCS is not fully automated. which steps