Re: [COOT] Updating maps

Not quite what I mean. I meant that, for Updating Maps to work, Coot (just) needs Fobs, SIGFobs and Rfree to be in the mtz file - you don't need to use them for refinement outside of Coot. Paul. On 20/05/2024 23:59, Murpholino Peligro wrote: -- So... I should rerefine using IMEAN,SIGI

Re: [COOT] Updating maps

So... I should rerefine using IMEAN,SIGIMEAN, instead of I(+),SIGI(+), I(-),SIGI(-). Thanks Paul El lun, 20 may 2024 a la(s) 4:56 p.m., Paul Emsley ( pems...@mrc-lmb.cam.ac.uk) escribió: > > The "Updating Map" feature in Coot expects (plain old) Fobs, SIGFobs, > Rfree columns - you have lots of

Re: [COOT] Updating maps

The "Updating Map" feature in Coot expects (plain old) Fobs, SIGFobs, Rfree columns - you have lots of exciting columns in your mtz file but not those ones. It would be cool if Coot could handle anomalous intensities, but at the moment it doesn't. I'll add it to the list. Regards, Paul

Re: [COOT] Updating maps

Maybe something is funny with my mtz? Dataset was processed with autoproc, then phaser and refinement in phenix...(1.21 I think) [image: image.png] El lun, 20 may 2024 a la(s) 2:09 p.m., Eta Isiorho (eisio...@gc.cuny.edu) escribió: > In old coot ™, I leave the defaults alone when opening the 2F

Re: [COOT] Updating maps

Dear Lucrezia and EE. When I open the mtz as suggested I get: Amplitudes: ANOM_1, 2FOFCWT, 2FOFCWT_no_fill, FOFCWT and ANOM_2 Phases: PHIF-model(+), PHIF-model(-), PHANOM_1, PH2FOFCWT, PH2FOFCWT_no_fill, PHFOFCWT and PANOM_2* ... Assign Labels for Structure Factor Calculation? in new-coot: I cann

Re: [COOT] Updating maps

Dear Murpholino, The problem is the auto open MTZ. In your case the —auto option does not assign F and SIGF. You need to use "open mtz" and assign them using the option menu and the Rfree as well. Regards, Lucrezia Sent from Outlook for iOS __

Re: [COOT] Difference map in new coot?

Thanks! El lun, 20 may 2024 a la(s) 2:11 a.m., Paul Emsley ( pems...@mrc-lmb.cam.ac.uk) escribió: > > On 19/05/2024 23:32, Murpholino Peligro wrote: > > In old coot: File -> Open Map -> Click on "Is Difference Map" > > In new coot, how can I make a map a "difference map"? > > > Ah, I see what you

[COOT] Updating maps

How to Enable "Updating Maps"??? (Like the 2023 tutorial ) I tried enabling the option "updating maps" using the MTZ output from a phenix.refine job with the following commands: cd Refine_6/coot b3x11_refine_006.pdb --au

Re: [COOT] Difference map in new coot?

On 19/05/2024 23:32, Murpholino Peligro wrote: In old coot: File -> Open Map -> Click on "Is Difference Map" In new coot, how can I make a map a "difference map"? Ah, I see what you mean. The file dialogs have been rewritten and I have forgotten to add a button for that. I will add one. For