Re: [ccp4bb] Coot installation issue

2022-09-30 Thread Paul Emsley
Coot is not (yet) an official part of brewsci, so the goocanvas update bonked coot. This morning I uninstalled my coot and rebuilt it with YoshitakaMo's coot.rb. The second time it worked (i.e. build and installed just fine). You can see from the patch

[ccp4bb] Deadline for LCLS screening proposals extended to Oct 4th

2022-09-30 Thread Artem Lyubimov
Hi everyone, The deadline to submit a screening proposal to the LCLS XFEL has been extended! For delicate crystals and/or for crystals available in lower quantities, the standard goniometer setup at LCLS-MFX is a useful option available to all general users applying for beamtime. See below for

Re: [ccp4bb] PAIREF - Warning - not enough free reflections in resolution bin

2022-09-30 Thread Eleanor Dodson
Dear Matt, Your data past 2.5A is awfully weak, and wont contribute much to any map you calculate. Each term at the outer resolution will have a very low weight. I sometimes cling to the belief that the weak data may help the B factor refinement, but there isnt much evidence of that. There is a

Re: [ccp4bb] PAIREF - Warning - not enough free reflections in resolution bin

2022-09-30 Thread Andrew Purkiss
Is the data anisotropic? This would explain the strange processing statistics beyond 3.0 Angstrom. If using Dials directly it is worth looking for abnormalities with the reciprocal lattice viewer. I've seen similar issues with the completeness being low, when data is weak in one direction,

Re: [ccp4bb] PAIREF - Warning - not enough free reflections in resolution bin

2022-09-30 Thread Martin MalĂ˝
Dear Matt, thank you for asking. I am bit confused how you set up the PAIREF run. In paired refinement, data are added step by step - going to higher resolution, i.e. lower d_hkl. So the merged data in the PAIREF input should not be cut to much. The data statistics look from DIALS quite

[ccp4bb] PAIREF - Warning - not enough free reflections in resolution bin

2022-09-30 Thread Matt McLeod
Hi all, I am having a bit of trouble with PAIREF. I am trying to determine the resolution cutoff of a dataset which has a high Rwork (0.223)/free (0.275)value for the resolution (2.24A). I have truncated this data further to 2.4A and the R values get better but the electron density maps do

Re: [ccp4bb] Coot installation issue

2022-09-30 Thread William G. Scott
homebrew heavy-handedly wiped out coocanvas v. 2 when upgrading. I made a temp fix with a sym link as follows: ln -s /usr/local/Cellar/goocanvas/3.0.0/lib/libgoocanvas-3.0.9.dylib /usr/local/lib/libgoocanvas-2.0.9.dylib your path prefix will be different, but you get the idea. > On Sep 30,

[ccp4bb] Coot installation issue

2022-09-30 Thread tim smith
Hi All, I am having an issue with installing coot. Here is the outcome when I type coot in command line. I am using M1 mac pro. Thank you. Best regards Tim CSI363227 ~ % coot dyld[11265]: Library not loaded: '/opt/homebrew/opt/goocanvas/lib/libgoocanvas-2.0.9.dylib' Referenced from:

[ccp4bb] PhD position in Luebeck (Northern Germany)

2022-09-30 Thread Thomas Krey
Dear colleagues, We invite applications for a Ph.D. position in Structural Virology in the lab of Thomas Krey, Institute of Biochemistry, University of Luebeck (Germany). Our group is interested in the study of viruses that constitute a global public health and/or veterinary concern and uses

[ccp4bb] CCPBioSim Industry Talk

2022-09-30 Thread Sarah Fegan - STFC UKRI
Hi all, Registration is now open for our next Industry Talk. It will take place on Thursday 20 October 2022 from 2pm UK time. It will be on Zoom and registration is free but required to get the webinar link. The speakers are Alex R. Jones and Amy E. Danson from the National Physical Laboratory