Re: [COOT] Can't download pdb files nor density maps in WinCoot 0.9.8.1 EL

2023-06-10 Thread Dale Tronrud
Hi, I copied the file Paul recommended into lib/python2.7/site-packages/coot and I'm now able to download coordinates and maps from EBI from within 0.9.8.1 again. Thanks. This file doesn't work in 1.0.01 because that program uses python 3.8. Dale Tronrud On 6/8/2023 3:55 AM, Paul

[COOT] Can't download pdb files nor density maps in WinCoot 0.9.8.1 EL

2023-06-08 Thread Dale Tronrud
skills are limited. What do I do to download PDB's and maps again? Dale Tronrud To unsubscribe from the COOT list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=COOT=1 This message was issu

Re: [COOT] absolute map levels

2022-05-03 Thread Dale Tronrud
Zinc at 10% occupancy. Sure, look at your map with a low contour level -- Just be aware that you are looking at a low contoured map. Dale Tronrud On 5/3/2022 6:32 AM, Paul Emsley wrote: On 02/05/2022 20:19, Dale Tronrud wrote: When I watch people model building I see many scrolling the con

Re: [COOT] absolute map levels

2022-05-02 Thread Dale Tronrud
out regard for the numeric value of the level, apparently just choosing a value that makes the peaks appear the way they prefer the peaks to appear. This way of choosing a contour level seems dangerous to me as it seems to bias the appearance of the map towards the modeler's expectation. Dale Tronrud O

[COOT] Problems with "Go To Atom..." dialog box

2020-03-05 Thread Dale Tronrud
tle large to just click around and hope to stumble upon the place I want to look at. Thanks for your help Dale Tronrud To unsubscribe from the COOT list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=COOT=1

Re: [COOT] Map smoothening in Coot

2019-11-20 Thread Dale Tronrud
an slowing the calculation. Dale Tronrud On 11/20/2019 11:36 AM, Daniel Larsson wrote: > Hi Karim, > > If in doubt, you can load both maps and use the original one for > refinement but hiding it and use the smooth map for visualization. > > Regards, > Daniel >   > >

Re: [COOT] pdb file problem with duplicate amino acid

2017-01-31 Thread Dale Tronrud
On 1/31/2017 11:51 AM, Paul Emsley wrote: > On 31/01/17 17:54, Edwin Pozharski wrote: >> Whatever the rationale was, there is a structure in the PDB that has >> alternate conformer of a residue listed with different residue type - >> A is arginine and B is glutamine. Coot fails to load the model

Re: [COOT] pdb file problem with duplicate amino acid

2017-01-31 Thread Dale Tronrud
residue into the chain. Dale Tronrud On 1/31/2017 9:54 AM, Edwin Pozharski wrote: > Whatever the rationale was, there is a structure in the PDB that has > alternate conformer of a residue listed with different residue type - A > is arginine and B is glutamine. Coot fails to load

[COOT] Bugs related to insertion codes

2015-01-02 Thread Dale Tronrud
atom I am, indeed, taken to 209D. Dale Tronrud -BEGIN PGP SIGNATURE- Version: GnuPG v2.0.22 (MingW32) iEYEARECAAYFAlSnI7QACgkQU5C0gGfAG11ZyQCfXUIo8Jh5t9NzlUEKb42E5yrR liUAoJatGSTMU5tLZBp1DkTx7cUhgCKL =qsBa -END PGP SIGNATURE-

Re: [COOT] truncate/modify a MTZ file

2014-05-29 Thread Dale Tronrud
and mask out certain features, that's a different kettle of fish. Dale Tronrud On 5/29/2014 2:20 PM, George Devaniranjan wrote: Hi, This is really 2 questions, one related to the other coming from someone who is just starting to learn/use CCP4/COOT so this question might sound rather naive

Re: [COOT] truncate/modify a MTZ file

2014-05-29 Thread Dale Tronrud
: Essentially I want to use COOT's Calculate--map sharpening but only use the backbone atoms in the process. On Thu, May 29, 2014 at 6:08 PM, Dale Tronrud de...@daletronrud.com mailto:de...@daletronrud.com wrote: Hi, Your question is vague so I will try to guess what you want

[COOT] Coot Performance on Intel HD Graphics 5000

2014-03-27 Thread Dale Tronrud
with the integrated Intel graphics. Is the 5000 version of their graphics good enough for Coot to work nice? I am not interested in stereo. Dale Tronrud -BEGIN PGP SIGNATURE- Version: GnuPG v2.0.22 (MingW32) Comment: Using GnuPG with Thunderbird - http://www.enigmail.net

[COOT] Downloading Coot

2013-09-03 Thread Dale Tronrud
I was looking for the download site for Coot but the links have have found point to http://www2.mrc-lmb.cam.ac.uk/personal/pemsley/coot/ but there is nothing there. Where do I go to find prebuilt coot binaries? Dale Tronrud

Re: [COOT] Downloading Coot

2013-09-03 Thread Dale Tronrud
Very nice wiki but it points back to the same, empty, directories. Dale On 09/03/2013 01:08 PM, Bosch, Juergen wrote: http://strucbio.biologie.uni-konstanz.de/ccp4wiki/index.php/COOT#Installing_Coot_on_Linux Jürgen On Sep 3, 2013, at 4:04 PM, Dale Tronrud wrote: I was looking

Re: [COOT] Downloading Coot

2013-09-03 Thread Dale Tronrud
We seem to be having a communications problem. I have looked in http://www2.mrc-lmb.cam.ac.uk/Personal/pemsley/coot/binaries/, there is nothing there under release. pre-release has a few files but not a variety of distributions. This location appears to be broken. Dale Tronrud On 09/03

[COOT] Error in Chiral Centers in bacteriopheophytin a (BPH)

2012-03-28 Thread Dale Tronrud
phytol tails are the same you can compare any chlorophyll-like molecule to the tails in this model to see if you are correct. Dale Tronrud bph-med-res-v030.cif Description: CIF chemical test

Re: [COOT] map level

2012-01-17 Thread Dale Tronrud
and then we can discuss the fact that contouring in rmsds is not the right thing to do. Appropriating the word sigma merely gives the illusion that some sort of statistics is being done. Dale Tronrud Cheers -- Ian Cheers -- Ian

[COOT] Sigma levels of ncs averaged maps

2010-12-22 Thread Dale Tronrud
a little reassurance. Dale Tronrud

Re: [COOT] Sigma levels of ncs averaged maps

2010-12-22 Thread Dale Tronrud
suppose that the output of Coot and mapmask would help there, although for clarity you would have to explain how sigma is derived (it is often opaque, it seems to me). Paul. On 22/12/10 23:37, Dale Tronrud wrote: The 12 sigma I want to put in the paper is from the Fo-Fc map where the rms is more

Re: [COOT] opening PDB downloaded .cif files in Mac OS

2010-02-05 Thread Dale Tronrud
It would be helpful if you said exactly what kind of CIF you have. The CIFs from the PDB-RCSB only contain observed structure factors or intensities. If you want a map you have to go to the Electron Density Server. Dale Tronrud subh wrote: Hi, I am trying to open the .cif file (in coot

Re: [COOT] deleting atoms from alternate conformations

2009-12-20 Thread Dale Tronrud
at a time the result will differ depending on the end of the side chain they start deleting atoms from. I don't know if this is a serious problem, or even a problem at all. Dale Tronrud 2) Should a few folks align themselves with my opinion, can COOT's behavior be modified without unintended

[COOT] Residue Density Fit

2009-03-17 Thread Dale Tronrud
but have not found a definition. Your help will be appreciated. Dale Tronrud