Re: [ccp4bb] EM maps

2024-03-08 Thread Christine Gee
Hi, I had a similar problem with a map crashing coot and pymol while it opened fine in chimera. There was some kind of discrepancy in the file header and the file size (slightly too small), but running through mapmask solved the issue. I can't claim to have figured that out. James Holton showed me

Re: [ccp4bb] interesting map problem

2021-12-17 Thread Christine Gee
es as for the reference .mtz. The reference dataset was output from aimless (or whatever package they used) with the default a wrote: > Well - that should not happen! > Are the cell dimensions the same for the new data and the reference set? > E > > On Fri, 17 Dec 2021 at 22:04,

[ccp4bb] interesting map problem

2021-12-17 Thread Christine Gee
Hi, I recently came across this strange issue. I was using aimless in CCP4 to scale my data and apply an Rfree from a reference .mtz Neither the reference or the file I was working with had higher resolution than 1.5 However aimless wrote out h, k, l and Rfree to 0.4. I did not click the button t

[ccp4bb] post-doc position

2021-08-14 Thread Christine Gee
Dear all, The Kuriyan Lab at UC Berkeley is looking for a post-doc interested in using Next Generation Sequencing and deep mutagenesis to investigate function and allostery. The job posting can be found here. https://www.nature.com/naturecareers/job/postdoctoral-associate-kuriyan-lab-howard-hughes

Re: [ccp4bb] cation-aromatic database

2021-04-20 Thread Christine Gee
Hi Stephan, It seems to be online at the following http://cmm.osdd.net/gnsmmg/databases/cad/ Regards Christine On Tue, Apr 20, 2021 at 12:27 PM stephen.c...@rc-harwell.ac.uk < stephen.c...@rc-harwell.ac.uk> wrote: > Dear BB, > > Does anyone know if the cation-aromatic database (Reddy, 2007, P

Re: [ccp4bb] Linux Distro for setting up workstations - Is CentOS still a good choice?

2021-02-20 Thread Christine Gee
Hi all, We use Debian and SBGRID. We have coot and pymol running in stereo with 3D vision glasses. If that’s helpful. Regards Christine. Sent from my iPad > On Feb 20, 2021, at 7:57 AM, Paul Emsley wrote: > > FWIW, looks like somebody at ETH Zurich is (or had been) trying to bring > Coo

Re: [ccp4bb] Tyr pushed out during refinement

2020-10-19 Thread Christine Gee
Dear Michael I would carefully check the backbone region around the tyrosine and make sure it’s correct as errors there might be the issue. Regards Christine Sent from my iPhone > On Oct 19, 2020, at 11:52 AM, Boniecki, Michal > wrote: > >  > Hello, > I have a problem during refining with o

Re: [ccp4bb] [Off-Topic] 3D Vision stereo with Ubuntu 18.04

2019-11-08 Thread Christine Gee
Hi Chris We have it working with the Mate desktop. Composite disabled. Let me know if you would like more details Regards Christine. Sent from my iPad > On Nov 8, 2019, at 4:18 AM, Chris Richardson > wrote: > > Apologies for the only slightly relevant question. > > Does anyone know the corr

Re: [ccp4bb] ORCID being mandatory for PDB depositions

2019-04-09 Thread Christine Gee
Hi all, I just submitted a PDB deposition where two of the deposition authors did not have an ORCID and it went through fine. As long as the corresponding author (ie the person submitting the PDB) and the PI has the ID I think it will work. Regards Christine On Tue, Apr 9, 2019 at 8:34 AM Mark

Re: [ccp4bb] OT: Nvidia 3D vision 2 glasses with Ubuntu workstation

2018-12-20 Thread Christine Gee
Hi Adarsh, As others have commented, you need your IR emitter to be connected to the P4000 graphics card through the 3 pin connector to get stereo with the vision 2 glasses unless you have a screen with a built in emitter. We recently set up a system using a Quadro P4000 and the additional 3 pin c

Re: [ccp4bb] suggestions for cryoprotectant

2018-10-19 Thread Christine Gee
Dear Fridous Have a look at https://www.ncbi.nlm.nih.gov/pubmed/14646118 Malonate as a cryoprotectant Or https://www.ncbi.nlm.nih.gov/pubmed/20606259 Regards Christine On Fri, Oct 19, 2018 at 2:57 PM Firdous Tarique wrote: > Dear members > > I have got beautiful crystal hits in SaltRx screens

[ccp4bb] 3D stereo and pymol

2017-11-06 Thread Christine Gee
Hi, I have looked in the archive for posts about this, but there hasn't been one for about a year. Can anyone comment on whether they have managed to get a linux flavor and GeForce cards to work with pymol and/or coot 3D stereo? Geforce cards supposedly support openGL, but posts from October last

Re: [ccp4bb] Stable Refinement as Low(ish) resolution

2017-07-12 Thread Christine Gee
Hi Rhys, In Refmac, you can change the weighting of the Xray terms vs the geometry restraints rather than use what is automatically assigned. Have you tried this? In Phenix you can use secondary structure restraints (probably you can do this in Refmac too, but I haven't tried) and try checking the

Re: [ccp4bb] Coot and Pymol 3D in Quadro M4000 Graphics Card under Windows 10

2017-01-30 Thread Christine Gee
Hi Xiao, I can confirm you need to buy an active adapter if you want to convert the display port on the graphics card to DVI. The one that they supply with the graphics card is passive and won't work. I was in the same boat about a year ago. I bought a USB powered active adapter which allowed 1

Re: [ccp4bb] non-specific disulfide bonds in crystal structures

2014-12-20 Thread Christine Gee
Hi Todd, I used to work on PNMT which also is supposedly monomeric and formed a disulfide between monomers in the crystals. See http://www.sciencedirect.com/science/article/pii/S1570963905000968?via=ihub We showed that it was irrelevant to activity. Cheers Christine Sent from my iPad > On 20

[ccp4bb] Job opportunity at the Australian Synchrotron

2012-01-12 Thread Christine Gee
Dear CCP4 readers There is currently an opening on the MX beamlines at the Australian Synchrotron. For the full job information consult the link below. Regards Christine http://www.synchrotron.org.au/index.php/about-us/working-at-the-synchrotron/employment-opportunities/699-science-research-offi

[ccp4bb] Post-doctoral position in macromolecular crystallography at the Australian Synchrotron

2011-09-26 Thread Christine Gee
Dear all, A two year post-doctoral position associated with the macromolecular crystallography group at the Australian Synchrotron is currently open for applications. To read the position description and application instructions please go to http://www.synchrotron.org.au/index.php/about-us/working-

Re: [ccp4bb] Homology modelling

2011-06-23 Thread Christine Gee
You might want to have a look at consurf, which maps conservation from an alignment onto a structure. http://consurf.tau.ac.il/ On 23/06/2011, at 6:42 PM, Simon Kolstoe wrote: > Dear ccp4bb, > > One of my colleagues is interested in how a certain protein differs between > species. He's done a b

Re: [ccp4bb] Cryoprotection in > 3M ammonium sulfate

2009-08-19 Thread Christine Gee
Dear Brenda Check out malonate http://www.ncbi.nlm.nih.gov/pubmed/14646118? ordinalpos=2&itool=EntrezSystem2.PEntrez.Pubmed.Pubmed_ResultsPanel.Pubm ed_DefaultReportPanel.Pubmed_RVDocSum Malonate: a versatile cryoprotectant and stabilizing solution for salt-grown macromolecular crystals. H

Re: [ccp4bb] Problem with different map when ligand refinement

2009-07-26 Thread Christine Gee
Dear TriNigo I would put waters in all the other difference density first (there are several obvious waters even in the section of map you sent with your email), without the substrate, and see if you see any more clues as to what's going on. Do you expect something to be added on the subs