Re: [ccp4bb] About Staraniso

2024-02-16 Thread vincent Chaptal
Hi Gerard, indeed, thank you for your clarification, I'm rusty since I'm on something else now. Anisotropy might not be the right word, as it does mean the opposite of isotropy. I meant 2 phenomenon at play: lack of completeness in the high resolution shells, and different intensity falloff

Re: [ccp4bb] About Staraniso

2024-02-16 Thread Gerard Bricogne
Dear Vincent, Thank you for chipping in as you did, with so much useful feedback about the difficulty of re-using PDB depositions containing anisotropic data. It is a very useful picture of what is definitely a "bleeding edge" on the "R" side of the wwPDB's "FAIR" ideal. It would be

Re: [ccp4bb] About Staraniso

2024-02-16 Thread vincent Chaptal
Hi Clemens and all, I've been following with a lot of interest of course, anisotropy has taken a lot of space in my membrane-protein crystallography life. I remember the many exchanges we've had with you and Global Phasing, as well as many other software developpers over the years. I would

Re: [ccp4bb] About Staraniso

2024-02-15 Thread Clemens Vonrhein
Dear Pavel & CCP4bb readers, On Wed, Feb 14, 2024 at 08:28:03PM -0800, Pavel Afonine wrote: > What follows below is not very specific to the particular program > (STAIRSANISO) nor the original questions, but nonetheless, I believe it is > relevant. Thanks for joining the discussion: always good

Re: [ccp4bb] About Staraniso

2024-02-14 Thread Pavel Afonine
Dear All, What follows below is not very specific to the particular program (STAIRSANISO) nor the original questions, but nonetheless, I believe it is relevant. In the past, performing any adjustments to the diffraction data intended for solving and refining atomic models was more or less

Re: [ccp4bb] About Staraniso

2024-02-13 Thread Arpita Goswami
Dear all, Good day. Thank you all for the very extensive discussions. Both on- and off-list discussions were very helpful. Thank you and a very happy Valentine's day to all.. Best regards, Arpita On Wed, Feb 14, 2024, 01:25 Kay Diederichs wrote: > Dear readers of CCP4BB, > > for various

Re: [ccp4bb] About Staraniso

2024-02-13 Thread Kay Diederichs
Dear readers of CCP4BB, for various reasons I don't feel inclined to reply to this. I'm really sorry, Kay On Tue, 13 Feb 2024 15:25:03 +, Gerard Bricogne wrote: >Dear Kay, > ... To unsubscribe from the CCP4BB

Re: [ccp4bb] About Staraniso

2024-02-13 Thread Gerard Bricogne
Dear Kay, I think I should add a few comments and annotations to your reply to Arpita, as it was addressed not just to her but to the general readership of the CCP4BB. This will involve introducing an extra level of interleaving, which can get a bit unsightly but can hardly be avoided.

Re: [ccp4bb] About Staraniso

2024-02-12 Thread Kay Diederichs
Dear Arpita, I'll try to answer below - On Mon, 12 Feb 2024 13:57:28 +0530, Arpita Goswami wrote: >Dear all, > >Greetings to all! Apologies if the below query seems very naive! > >This is to query on the consensus to use Staraniso for pdb submission. We >have solved a structure previously at

Re: [ccp4bb] About Staraniso

2024-02-12 Thread Clemens Vonrhein
Dear Arpita, > Apologies if the below query seems very naive! Your query is not at all naive, it is very probing. Sorry for the necessarily long reply to your questions - but there are a number of topics you raise where we think a large amount of confusion still exists. Please note that this

[ccp4bb] About Staraniso

2024-02-12 Thread Arpita Goswami
Dear all, Greetings to all! Apologies if the below query seems very naive! This is to query on the consensus to use Staraniso for pdb submission. We have solved a structure previously at 2.3 A resolution. The same data (after reindexing the diffraction images in autoPROC) and after reprocessing