[COOT] Building a helix into an unknown density

2019-01-29 Thread Ahmad Khalifa
Hello, I'm a new user of Coot. I have a density that has the shape of a helix. I sort of have an idea of what sequence should go in there, but I haven't resolved the structure near it from both the C- and N-terminai sides. How can I start placing amino acids in the density without having a termin

[COOT] Draw sequence view of 6 chains structure show only 3

2019-02-04 Thread Ahmad Khalifa
I have a 6 chained structure of three tubulin molecules, 3 alpha and 3 beta subunits. How come sequence draw shows only three sequences and not the rest? Regards. To unsubscribe from the COOT list, click the following link

[COOT] Coot undo warning regarding undisplayed structure

2019-02-04 Thread Ahmad Khalifa
I have three structures open in Coot. I have only one displayed that I was working on. Oddly enough, when I press undo, I get a warning about how Coot can't undo modifications to a structure that's not displayed. When I display all three structures, Coot will make undo's to the the other ones but

[COOT] Showing side chains of selection and modeling contacts

2019-02-10 Thread Ahmad Khalifa
Two questions: 1) I like to set my structure view to show only the alpha carbon backbone. Is there a way to show the side chains of only selected residues? 2) I have a tyr and an arg that I think are interacting (sort of clashing). How can I refine both residues together to converge on possible i

[COOT] Constructing a biological assembly in Coot

2019-04-07 Thread Ahmad Khalifa
Hello, I'm working with a lattice made of a tubulin monomer that I modeled and refined in Coot. I have fitted other units of the monomer along the length and to the side of my monomer in a cryo-EM map to study tubulin interactions with non tubulin proteins. My problem: sometimes I have to refine

[COOT] How to display the console in Coot?

2019-04-12 Thread Ahmad Khalifa
I want to copy the output matrices of SSM, how to display the console window? Regards. To unsubscribe from the COOT list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=COOT&A=1

[COOT] Is it possible to change button assignment in Coot?

2019-05-06 Thread Ahmad Khalifa
I have a large structure loaded in Coot. The middle mouse click is often mistaken for a center around atom action whilst trying to navigate the map. Is it possible to assign the center around atom function to another key combination, like ctrl and middle mouse? Regards. #

[COOT] Writing a script for iterative sphere refinement

2019-05-19 Thread Ahmad Khalifa
Hello, I want to write a script that does the following: for a bunch of chains and atom numbers: go to chain letter and atom number do sphere refinement if refinement parameters are ok: accept else: go to chain letter atom number if refinement parameters are ok: accept else: continue I have very

Re: [COOT] Writing a script for iterative sphere refinement

2019-05-19 Thread Ahmad Khalifa
But that function should already be implemented in the green flags that I get in the accept refinement dialog, no? On Sun, May 19, 2019, 7:19 PM Paul Emsley wrote: > On 19/05/2019 21:40, Ahmad Khalifa wrote: > > Hello, > > > > I want to write a script that does the fol

Re: [COOT] Writing a script for iterative sphere refinement

2019-05-20 Thread Ahmad Khalifa
pass > else: > apply_undo() > > You will still need to write the stats_are_acceptable function with your > own cutoff values. > > Kind regards, > Paul > > On Mon, 20 May 2019 at 02:30, Ahmad Khalifa > wrote: > >> But that function should already b

[COOT] 310 helix restraints

2019-07-15 Thread Ahmad Khalifa
I know I can either force beta strands or alpha helix restraints while refining/regularizing, but what about 310 helices?! Regards. To unsubscribe from the COOT list, click the following link: https://www.jiscmail.ac.uk/cgi

[COOT] Wincoot keeps changing brightness

2019-07-30 Thread Ahmad Khalifa
Reinstalling didn't solve the problem: https://youtu.be/jXZ5bZsuK3g To unsubscribe from the COOT list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=COOT&A=1

[COOT] Generate NCS copies from BIOMT record in pdb

2019-08-15 Thread Ahmad Khalifa
Hi, I want o display the entire biological assembly by generating all the NCS copies from the BIOMT record in my pdb file. Currently, I open the structure in chimera, generate the NCS copies I need, save them and then open in coot, but is there a way to do that on the fly in Coot?! Regards. ###

[COOT] Place stand here N-terminus vs C-terminus

2019-09-19 Thread Ahmad Khalifa
How does Coot guess the direction of the chain? How confident is this assignment? Regards. To unsubscribe from the COOT list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=COOT&A=1

[COOT] Opening a 50 chains structure in Coot

2019-10-22 Thread Ahmad Khalifa
Is there a limit to the number of chains that Coot can display in a structure? A lot of the chains in my structure weren't loaded. The missing chains appear to be random, but reopening the coordinate file results in the same missing chains. How can I fix it? #

[COOT] Merging 50 chains adds characters for serial numbers

2019-10-23 Thread Ahmad Khalifa
Merging 50 chains results in serial numbers that have characters in them. After 9, it starts with A, A0001, A0002,etc. I assume this is not Coot's fault, because some restrictions in the serial number column size?! but I wonder if there's a work around this to be able to deposit my st

Re: [COOT] Merging 50 chains adds characters for serial numbers

2019-10-23 Thread Ahmad Khalifa
This error is printed by the PDB deposition portal. "File upload failed Please review the errors below and try again. Coordinate issues ERROR: 'A' is not a number. 12345678901234567890123456789012345678901234567890123456789012345678901234567890 ATOM A N PHE j 389 308.681 214.654 329.22

[COOT] Color chains or turn on environmental distances between molecules

2019-12-25 Thread Ahmad Khalifa
I want to either color chains of the same structure differently, or turn on environmental distances between molecules (which I can color differently). If neither can be done, I think it's a feature worth adding in future Coot releases. Regards. ###

[COOT] Draw sequence view color scheme

2020-06-07 Thread Ahmad Khalifa
The Coot sequence view window assigns different colors to residues. What does this coloring mean exactly? Regards. To unsubscribe from the COOT list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUB

[COOT] Building N-glycan chains in coot

2021-01-23 Thread Ahmad Khalifa
Hi, I followed this tutorial to add a NAG to my structure http://legacy.ccp4.ac.uk/tutorials/tutorial_files/jligand/1_glycan.html. My question is, how can I add another NAG to make a NAG chain? Regards. To unsubscribe fro

[COOT] Installing coot on ubuntu 18.04

2021-02-22 Thread Ahmad Khalifa
Can I install Coot on ubuntu 18.04? I get this error here "error while loading shared libraries: libpng12.so". As far as I read v12 of libpng is no longer available in ubuntu 16+. If there's a work around this that doesn't require admin permissions, please let me know. Thanks. ###

[COOT] NCS tools copy ncs residue range to a particular slave chain

2021-12-07 Thread Ahmad Khalifa
When I apply an ncs residue range from a master chain, it gets propagated to all slave chains, but I want the change to propagate to only a particular chain, without having to undo all the changes in the other chains! Alternatively, I wonder if there's a way to build a segment from a template that

Re: [COOT] NCS tools copy ncs residue range to a particular slave chain

2021-12-13 Thread Ahmad Khalifa
Thank you so much. It did work for me. Cheers. On Tue, Dec 7, 2021 at 6:06 AM Bernhard Lohkamp wrote: > > Hi Ahmad, > > > When I apply an ncs residue range from a master chain, it gets > propagated to all > > slave chains, but I want the change to propagate to only a particular > chain, > > wit