Re: [COOT] unable to visualize in COOT a CryoEM post-processed map generated in RELION

2024-10-07 Thread Huw Jenkins
> On 7 Oct 2024, at 10:43, SERGIO BARATA GARCIA > wrote: > > I mean that I can´t see the molecule at all. No signal in the display window > On 4 Oct 2024, at 09:24, SERGIO BARATA GARCIA > wrote: > > Regarding the volume is quite big so I do not know if that could affect: > > (x,y,z,n)= 660

Re: [COOT] COOT Digest - 15 Mar 2023 to 16 Mar 2023 (#2023-23)

2023-03-17 Thread Huw Jenkins
> On 17 Mar 2023, at 01:45, Oliver Clarke wrote: > > But - the window never used to get iconified after deleting things? Is this > due to a change in Coot, or a change in Mac OS? I believe it's a MacOS Ventura/XQuartz issue. Same thing was reported for other software here: https://github.com/e

Re: [COOT] Coot via Homebrew (Mac M1 2021) error

2022-05-01 Thread Huw Jenkins
> On 1 May 2022, at 01:57, Paul Emsley wrote: > > This was discussed in issue 33 - we don't know what the problem is. But > interestingly CCP4-pre-built binaries don't show the same problem, so it is > fixable... it's something to do with Adwaita. It's a change in icon name I think - version 4

Re: [COOT] XQuartz 2.8.0_beta1 is not compatible with COOT

2021-02-02 Thread Huw Jenkins
Hi, > On 1 Feb 2021, at 21:56, Huw Jenkins wrote: > > Either way I guess it will go away in the next XQuartz beta release. Update: I just installed XQuartz 2.8.0_beta3 and Coot works fine. Huw To unsubscribe

Re: [COOT] XQuartz 2.8.0_beta1 is not compatible with COOT

2021-02-01 Thread Huw Jenkins
> On 1 Feb 2021, at 21:44, Huw Jenkins > <288da93ae744-dmarc-requ...@jiscmail.ac.uk> wrote: > > As far as I can tell this is a bug in XQuartz 2.8.0_beta1 that has now been > fixed: or maybe more accurately a bug in Mesa fixed after 2.8.0_beta1 was released? https://g

Re: [COOT] XQuartz 2.8.0_beta1 is not compatible with COOT

2021-02-01 Thread Huw Jenkins
> On 1 Feb 2021, at 21:37, Paul Emsley wrote: > > I take it to mean the XQuartz 2.8.0 doesn't distribute the library against > which Coot (0.9.x) is linked by CCP4 and CCPEM. As far as I can tell this is a bug in XQuartz 2.8.0_beta1 that has now been fixed: https://github.com/XQuartz/XQuartz/

Re: [COOT] coot for RHEL 7.6

2019-05-21 Thread Huw Jenkins
> On 21 May 2019, at 16:44, Darin Lory wrote: > > Huw, > > I found I'm having the same problem as I have with Chimera displaying on > XQuartz on the Mac. Looks like OpenGL applications don't display correctly > or if at all. > > I tested with Linux workstation displaying coot AND Pymol wor

Re: [COOT] coot for RHEL 7.6

2019-05-21 Thread Huw Jenkins
Hi, What's the output of glxinfo? It looks more like an OpenGL problem than a Coot specific issue. Best wishes, Huw To unsubscribe from the COOT list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin

Re: [COOT] Problem loading PDBx/mmCIF files for EM in Coot

2018-12-11 Thread Huw Jenkins
> On 11 Dec 2018, at 15:32, Andrea Thorn wrote: > > Can someone point out if the files for these entries are broken somehow, or > if there is a bug in Coot? 5lza for me: There was an error reading 5lza.cif. ERROR 42 READ: Duplicate sequence number and insertion code. CIF ITEM: loop _ato

Re: [COOT] problems with validate waters

2014-11-19 Thread Huw Jenkins
On 19 Nov 2014, at 12:22, Tobias Beck wrote: > I am using Coot 0.8.1-pre rev 5445 on Mac (OS 10.9.5) and would like to > validate waters. However, after selecting the criteria and hitting 'Ok', the > terminal only gives me > > (command-in-path-or-absolute? *probe-command*) That is all I get

Re: [COOT] coot crash when loading mtz file

2014-06-19 Thread Huw Jenkins
On 18 Jun 2014, at 19:09, Thomas, Leonard M. wrote: > Number of OBSERVED reflections: 130799 > INFO:: finding ASU unique map points with sampling rate 10 > INFO grid sampling...Nuvw = ( 972,1728,2592) > libc++abi.dylib: terminating with uncaught exception of type > std::length_error: vector Doe

Re: [COOT] Map selected for scrolling on Auto Open MTZ

2014-06-12 Thread Huw Jenkins
On 12 Jun 2014, at 13:08, Bernhard Lohkamp wrote: > Hi, > > this was due to some changes in the code when opening maps. For now I "fix" > this to not make diff maps scrollable by default as before (some more > sophistication may be used in the future). This is available from r5095. Brilliant,

Re: [COOT] Map selected for scrolling on Auto Open MTZ

2014-06-12 Thread Huw Jenkins
On 11 Jun 2014, at 11:30, Huw Jenkins wrote: > Hi, > > The most recent pre-release of Coot I’ve compiled (revision 5094) has changed > which map is set to scroll on Auto Open MTZ. I must stop replying to my own bug reports, but this appears to have been changed somewhere betwe

[COOT] Map selected for scrolling on Auto Open MTZ

2014-06-11 Thread Huw Jenkins
Hi, The most recent pre-release of Coot I’ve compiled (revision 5094) has changed which map is set to scroll on Auto Open MTZ. It’s now map 1 (which is the Fo-Fc map) whereas before it was map 0 (2Fo-Fc). Is there a way to switch back to the old behaviour? Thanks, Huw

Re: [COOT] OSX OXT crash

2012-05-01 Thread Huw Jenkins
On 1 May 2012, at 13:41, Paul Emsley wrote: > Fixed in 4148 (I'm pretty sure). Yep works for me - thanks for fixing this! Huw

Re: [COOT] OSX OXT crash

2012-04-30 Thread Huw Jenkins
On 30 Apr 2012, at 19:47, William Scott wrote: > Any hints how to get it not to work? Is there anything > in the pdb I could use as an example? Load the tutorial model and data, open add OXT dialogue box, change chain A to B in drop-down box = instant segfault for me. I've just built the late

Re: [COOT] Feature request - automatic conversion of Nucleic acid to v3.2 format

2011-08-18 Thread Huw Jenkins
On 18 Aug 2011, at 17:24, Paul Emsley wrote: > So I endorse this solution. (I doubt that I will introduce this functionality > into Coot any time soon.) Another alternative (no phenix installation required) is the molprobity webserver. The website for their stand-alone remediator software (htt

[COOT] Feature request - automatic conversion of Nucleic acid to v3.2 format

2011-08-18 Thread Huw Jenkins
so that it matches the dictionary and real-space refinement works. Given that Coot used by default to change nucleic acid to the old (Ur etc) format and standard-residues.pdb is in the old format some of the code to do this must already be there? Thanks, Huw -- Dr Huw Jenkins Astbury

Re: [COOT] Adding nucleotide to RNA chain fails with ERROR:: nucleotide_to_nucleotide() unassigned type

2011-08-16 Thread Huw Jenkins
the problem is... Huw -- Dr Huw Jenkins Astbury Centre for Structural Molecular Biology University of Leeds

Re: [COOT] Incorrect atom labels when building ideal RNA helices.

2011-08-15 Thread Huw Jenkins
ut when I use "get residue info" on a nucleotide I get: Failed to find atom name quads for residue type U in the console but the residue info box pops up fine. Huw -- Dr Huw Jenkins Astbury Centre for Structural Molecular Biology University of Leeds

[COOT] Adding nucleotide to RNA chain fails with ERROR:: nucleotide_to_nucleotide() unassigned type

2011-08-15 Thread Huw Jenkins
ine: 0 std_base_is_pyrimidine: -1 std_base_is_purine: -1 mol_res_name: U std_base_name: A (do-add-terminal-residue 0) The error is the same for additions at 5' or 3' ends (although at the 3' it says "this is a term_type C"). Huw -- Dr Huw Jenkins Astbury Centre for Structural Molecular Biology University of Leeds

Re: [COOT] Incorrect atom labels when building ideal RNA helices.

2011-08-15 Thread Huw Jenkins
n/coot (which is just a wrapper) to set $COOT_REFMAC_LIB_DIR to /sw64/share/xtal/ccp4-6.2.0/lib but once that's done real space refinement works again. I hope that restores RNA refining functionality to your Coot too Francis! Huw -- Dr Huw Jenkins Astbury Centre for Structural Molecu

Re: [COOT] Incorrect atom labels when building ideal RNA helices.

2011-08-15 Thread Huw Jenkins
ot; N" at (32.2166,26.6043,25.0936) (2) C6 /1/A/1/G, occ: 1 with B-factor: 20 element: " C" at (32.7971,23.9412,24.1001) (2) O6 /1/A/1/G, occ: 1 with B-factor: 20 element: " O" at (32.9177,22.7756,23.6884) (2) N2 /1/A/1/G, occ: 1 with B-factor: 20 element: " N" at (30.0137,25.9864,25.1789) Is this only an issue with the fink distributed Coot? Huw -- Dr Huw Jenkins University of Leeds Leeds, LS2 9JT

Re: [COOT] preferences, etc. : bond thickness

2010-07-15 Thread Huw Jenkins
Hi I have noticed this too - I think it's because when you start coot with the command line argument '--pdb filename.pdb' the pdb is read *before* coot.py, coot-preferences.scm or ~/.coot so the bond preferences are only applied to the next pdb opened from within coot.

[COOT] Fink install of Coot 0.6.2-pre-1 (revision 2943) fails due to renaming of coot.py (patch included)

2010-05-10 Thread Huw Jenkins
Mac Coot beta testers get their fix... Huw -- Dr Huw Jenkins Astbury Centre for Structural Molecular Biology University of Leeds Leeds, LS2 9JT

Re: [COOT] Coot 0.52 on OSX not showing molecule

2010-01-21 Thread Huw Jenkins
source but it was as simple as "fink -y install coot" and leave it compiling overnight. Huw -- Dr Huw Jenkins Astbury Centre for Structural Molecular Biology University of Leeds

Re: [COOT] Scripting missing in CCP4 distribution of COOT v0.6.0 CCP4 (OS X 10.4+ universal dmg installer)

2010-01-04 Thread Huw Jenkins
eers for the info. I was confused as to why all the Scheme scripts were present in /Applications/coot.app/Contents/coot/share/coot/ scheme/ but not being read on start-up. Thanks again, Huw -- Dr Huw Jenkins Astbury Centre University of Leeds

[COOT] Scripting missing in CCP4 distribution of COOT v0.6.0 CCP4 (OS X 10.4+ universal dmg installer)

2010-01-04 Thread Huw Jenkins
comparisons of the old and new coots. Any ideas/suggestions would be great! Thanks, Huw -- Dr Huw Jenkins Astbury Centre University of Leeds