Re: [COOT] (Re)beginner question about coot binary version on Linux Ubuntu

2023-05-24 Thread hari jayaram
On 24/05/2023 14:24, hari jayaram wrote: > > > CAUTION: This email originated from outside of the LMB. > Do not click links or open attachments unless you recognize the sender and > know the content is safe. > *.-owner-c...@jiscmail.ac.uk-.* > > Hi All > I am making some

[COOT] (Re)beginner question about coot binary version on Linux Ubuntu

2023-05-23 Thread hari jayaram
Hi All I want to get back to using coot to build some models after a gap of 8 years. I have access to a Linux laptop and can put any OS version on it. I was wondering what the easiest way forward is —get the most recent Ubuntu and pull the latest binary ( 0.9.8.6 with binary for 20.04) or put

Re: [COOT] Which Linux distribution supports building Coot 1.0.x?

2022-06-29 Thread hari jayaram
happen (because, > clearly, it isn't). > > A few days. > > Paul. > > > > On 27/06/2022 03:12, Paul Emsley wrote: > > > That clipper is old clipper. You need the clipper from the build script. > > Paul. > > > > On 27/06/2022 03:10, hari jayaram wrot

Re: [COOT] Which Linux distribution supports building Coot 1.0.x?

2022-06-26 Thread hari jayaram
Dear Paul and the coot community It's been 6 years since I posted on any coot forum . I saw the exciting news around coot-1 and am itching to dive back in. I am trying to compile coot-1 on Ubuntu 20.04 After installing a series of dependencies, which I can gladly report back to you on...the

Re: [COOT] broken loggraph on 64 bit redhat: new style refmac graph popup after refmac from inside coot?

2014-04-23 Thread hari jayaram
this on my list to do (somewhere on the top ;-) ). B On 05/04/2014 15:04, hari jayaram wrote: Hi all, I like running my refmac from inside coot and having the loggraph blt graphs popup on completion. loggraph graph pop ups seem broken on 64 bit redhat enterprise running ccp4 6.3 and ccp4 6.4

[COOT] broken loggraph on 64 bit redhat: new style refmac graph popup after refmac from inside coot?

2014-04-05 Thread hari jayaram
Hi all, I like running my refmac from inside coot and having the loggraph blt graphs popup on completion. loggraph graph pop ups seem broken on 64 bit redhat enterprise running ccp4 6.3 and ccp4 6.4 , both 64 bit versions. The window for the graph pops up and then crashes with an error complaining

[COOT] coot operator for SYMGEN - Make new molecule from symop- pisa interface?

2013-10-23 Thread hari jayaram
I have a question about the expanded syminfo labels in coot and the menu item : Extensions-Modelling-New Molecule from symop. I have a dimer in the assymetric unit in which the two molecules that phaser picked as the solution do not share any contact area . I want to put chain A together with a

[COOT] mmcif output for custom ligand from Edit Restraints not compatible with Refmac outside of coot?

2013-08-07 Thread hari jayaram
Hi all, When I build a custom ligand using the coot Ligand Builder (0.7.1-pre (revision 4650) [with guile 1.8.8 embedded] [with python 2.7.3 embedded]). Coot then runs cprodrg and generates restraints which I can use inside of coot to do all my refinements and even run refmac from within coot.

[COOT] Coot update refmac output map as map to use for real-space refinement after each run

2013-05-17 Thread hari jayaram
Hi all, I generally run refmac from inside coot. The older coot version would automatically pick the newest maps that resulted from refmac as the map to use for refinement..so it would go from one FWT map (say map 0) to the newest FWT (map 2) map that resulted after refmac.. However the auto

[COOT] Molprobity multicriterion coot charts dont highlight last clicked button in Ubuntu 12.04

2013-04-02 Thread hari jayaram
Hello, I auto-upgraded my system to Ubuntu 12,04 and my old coot setup ( from 10.04) works just fine on the new system . There is just one problem in that the coot multicriterion charts generated by Molrpobity no longer behave the same way . When I read in a scheme or python based Molprobity

Re: [COOT] Building subversion coot on Ubuntu 12.10 64 bit

2013-01-24 Thread hari jayaram
at 19:17 -0500, hari jayaram wrote: Hi I am trying to build the subversion coot on a Ubuntu machine running 12.10 using the build-it-gtk2-simple python script. I get all the way to compiling the final coot and get an error in the final linking part. (dynload_shlib.o

[COOT] libcheck garbled small molecule in ccp4 6.3 but not in ccp4 6.2.2

2012-08-13 Thread hari jayaram
Hi, I just upgraded to the newest CCP4 version 6.3 and noticed that libcheck which coot uses to produce restraints from a SMILES string produces garbled coordinates in ccp4 version 6.3 , but the same SMILES string works just fine with CCP4 version 6.2. I tried to get it to fail on public

[COOT] svn 4245 coot probe dots dynamically not getting re-drawn post refine

2012-06-18 Thread hari jayaram
Hello All, I upgraded to svn 4245 on ubuntu 64-Linux 10.04 . I used to have the probe dots get redrawn following a refine prior to this update. ( I was running svn 4222 or something like that). However somehow the coot probe dots are not shown dynamically when picking rotamers, and routine

Re: [COOT] using custom key bindings in wincoot ( where to put .cootrc or equivalent in coot for windows)

2012-02-09 Thread hari jayaram
Thanks Bernhard, Sorry for not reading your very clear instructions properly. ..My monitor resolution was set crazy high and I missed the dot before the coot.py Once I renamed my key-bindings to dot-coot-dot-py (.coot.py) and placed them into the C:\Wincoot directory..the key bindings work on

Re: [COOT] using custom key bindings in wincoot ( where to put .cootrc or equivalent in coot for windows)

2012-02-08 Thread hari jayaram
Hello Bernhard, Thanks for your email . It turns out that my file was not called coot.py and I also had a few hidden new-line characters due to a copy paste from your wiki python key bindings. Once I named the file coot.py and corrected the python syntax..I see the following behavior: At startup

[COOT] using custom key bindings in wincoot ( where to put .cootrc or equivalent in coot for windows)

2012-02-07 Thread hari jayaram
Hi recently found myself using coot on windows and was wondering where the user specific key bindings are to be introduced to coot. This was windows 7 and I think it defines the users home directory as C:\Users\user.name\ , but I know that other Windows versions use C:\Documents and

Re: [COOT] refmac from within svn 3315 coot not writing pdb and mtz to Current-dir on completion

2011-01-20 Thread hari jayaram
dir is much tidier this way. Thanks Hari On Thu, Jan 20, 2011 at 3:40 PM, hari jayaram hari...@gmail.com wrote: Hello , I am running coot svn revision 3315 on Ubuntu Lucid 10.04 When I run refmac5 from within coot with this version of coot , it competes perfectly and displays the new pdb

[COOT] SMILES generated cif and refmac from inside coot

2010-04-28 Thread hari jayaram
Coot does not seem to be passing its libcheck-SMILES generated cif file to Refmac when the refmac button from inside coot is clicked and refmac is run. IS there someway to have the refmac button be aware of the cif file that is typically in the present working directory. Thanks in advance Hari

[COOT] Ubuntu 10.04 - subversion build gtkglext not configured properly error

2010-04-14 Thread hari jayaram
Hi I have the habit of using the subversion build of coot and decided to switch to ubuntu 10.04 a few days before it comes out. I am building it using the build-it-gtk2-simple python script The build progresses till the final stage and the 16-coot.txt indicates checking for pkg-config...

[COOT] refmac from inside coot and NCS checkbox

2010-03-11 Thread hari jayaram
Hello everyone, I know that coot reads in the pdb file and figures out the ncs relationships upon loading . When you run refmac from inside coot and click the button, I am assuming it uses the computed NCS relationships as restraints during refinement . My pdb file does have the NCS definitions

[COOT] coot distributed by ccp4-6.1.3 and python scripting

2010-02-18 Thread hari jayaram
Hi, I noticed that the coot distributed by ccp4-6.1.3 does not have python built into it. Is there anyway to add in the python support post installation ? I am running the ccp4 supplied coot on OSX Leopard 10.5.8 I am cc-ing the coot mailing list as well . Thanks Hari

[COOT] nan sigma when I try to make Dano map in expert mode

2009-07-01 Thread hari jayaram
Hi , I am seeing this problem only on a particular 32 bit machine. On this machine when I try to make a map using a Dano column and PHIC or PHIDM , coot chugs through the calculation. Creates the map object in Display manager and then no map shows up. Despite any extent of attempting to scroll the

Re: [COOT] [PyMOL] Caution - 120 Hz LCDs: Not CRT killers yet...

2009-06-22 Thread hari jayaram
  that allows me to get stereo on this setup. Monitor : Viewsonic FuHzion VX2265wm 120Hz Graphics card: Quadro FX 4600 OS: Ubuntu Linux X86_64 - Hardy Heron 8.04 Stereo glasses: Crystal Eyes 3 with 3pin mini din connector Thanks for your help in advance Hari Jayaram Brandeis University On Tue

[COOT] quick shortcut or script to zero occupancy using mouse

2009-06-05 Thread hari jayaram
Hi I have a very low resolution map in which I can barely see side chains . I want to set to zero occupancy many residues and residue side-chains before I do a refinement. Currently I am using the Residue-Info menu item to set each occupancy to zero residue by residue . And in cases where part of

[COOT] Ubuntu Jaunty (9.04) subversion build works great now

2009-05-18 Thread hari jayaram
9.04 box. Regardless I am happily cooting with the latest build on Jaunty jackalope. Thanks a tonne Hari On Tue, May 12, 2009 at 11:11 AM, hari jayaram hari...@gmail.com wrote: Hello , The jaunty 32 bit build seems to fail ( with subversion revision 2002 as well) It seems like based on what

Re: [COOT] subversion build on ubuntu 9.04 fails : [: =: unary operator expected error

2009-05-12 Thread hari jayaram
/Custom_building_Coot_from_source_codeof separately compiling all the coot dependencies . But though I would wrote in to inquire if there was already a simpler fix. Thanks Hari On Fri, May 8, 2009 at 7:35 PM, Paul Emsley paul.ems...@bioch.ox.ac.ukwrote: hari jayaram wrote: Hi ..I tried a coot subversion

[COOT] subversion build on ubuntu 9.04 fails : [: =: unary operator expected error

2009-05-08 Thread hari jayaram
Hi ..I tried a coot subversion (revision 1994) built-it-simple python on the newest ubuntu 9.04 The build crashes just after it builds guile and ( 16-coot.txt in the build directory ) reads : checking for Clipper... yes Congratulations, you are using Guile checking for guile... no configure:

Re: [COOT] svn revision 1950 and rigid body fit zone

2009-04-23 Thread hari jayaram
: creates all atoms as stars in ncs mates Thanks hari On Thu, Apr 23, 2009 at 4:34 PM, Paul Emsley paul.ems...@bioch.ox.ac.ukwrote: hari jayaram wrote: Hello , I just noticed that rigid body fit zone in revision 1950 stops expecting user mouse clicks after clicking on the first atom

[COOT] coot -lsq to output transformation matrix like ssm?

2009-04-12 Thread hari jayaram
Hi I am using the latest build (1947 0.6 pre) of coot Coot lsq superpose does exactly what I want it to do i.e superpose all the atoms from one set of fragments to the ncs symmety other set of fragments. Is it possible to have coot output to stdout the transfomation matrix like it does when it

[COOT] coot crashes on delete-zone?

2008-04-28 Thread hari jayaram
Paul's build-it-gtk2-simple script, which should build all the dependencies for you. http://www.ysbl.york.ac.uk/~emsley/build-logs/build-it-gtk2-simplehttp://www.ysbl.york.ac.uk/%7Eemsley/build-logs/build-it-gtk2-simple hari jayaram wrote: Hi , Bill, Sorry I skipped this mail and have not yet

[COOT] real space refinement and regularize at 3.3 A

2008-04-15 Thread hari jayaram
Hi I am using coot 0.5 pre 1 on linux . I am trying to correct the model after molecular replacement into a 3.3 A map and I have a few questions The map is quite good for all the helical regions but the loops are expectedly hard to build. Thanks to prime-and-witch I have a remarkably bias removed

Re: [COOT] Is there anything I can do to make X11 stable enough to use on 10.5.2

2008-03-23 Thread hari jayaram
against leopard and X and I agree with Bills sentiment..makes me want to go back to gentoo-linuxbut then we just spent almost 3K on this machine and I am sure hoping these problems will soon disappear A willing guinea pig Hari Jayaram On Sun, Mar 23, 2008 at 6:19 AM, Phil Evans [EMAIL

[COOT] mouse focus issues in 0.5-pre-1 (revision 852) despite com.apple.x11 wm_ffm true

2008-03-20 Thread hari jayaram
in a multi-user setup that I need to do differently Thanks a lot for your help in advance Hari Jayaram Brandeis University

Re: [COOT] mouse focus issues in 0.5-pre-1 (revision 852) despite com.apple.x11 wm_ffm true

2008-03-20 Thread hari jayaram
rotamers still a known issue? Thanks for your help and sorry to add to this thread with a unrelated question Hari Jayaram Brandeis University On Thu, Mar 20, 2008 at 12:45 PM, William Scott [EMAIL PROTECTED] wrote: They keep changing the name of the damn plist file. Try org.x.X11 same