[COOT] RSR of tRNA with nascent chain

2021-07-27 Thread Helge Paternoga
Dear all,

I have what feels like a trivial question about modelling in coot, but 
unfortunately I have not managed to solve it myself.

I would like to create a bond between a P-tRNA and nascent chain and then 
subsequently use RSR in Coot for modelling.

What I gathered so far is that I should use acedrg to create the restraints of 
the linked unit (in my case "A" to "VAL"). Therefore, I first followed the 
tutorial in the Coot development blog which worked well.

But when I try to do the "real world" example with my model, acedrg crashes 
(and I could not find a useful error message).

What I could figure out is that it has something to do with the RNA-nucleotide 
being referred to as "A", because linking an imported "AMP" molecule to valine 
as well as my whole nascent chain works as it should.

Therefore, I wanted to ask if you could briefly tell me what is the correct way 
to achieve this type of linkage in Coot?

Many thanks for reading and best wishes,

Helge


P. S. I have modified Oli Clarke's trimmings to automatically load the 
"Restraints" menu with "add_module_restraints()", but this is only partially 
working as the menu is not showing all entries upon starting coot. I have to 
still manually load "Calculate -> Modules -> Restraints" to get the rest of the 
entries to show. Is there something I could do to have the full menu from the 
get go?



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 issued to members of www.jiscmail.ac.uk/COOT, a mailing list 
hosted by www.jiscmail.ac.uk, terms & conditions are available at 
https://www.jiscmail.ac.uk/policyandsecurity/


Re: [COOT] How to biuld the N-terminal H atom and C-terminal OH group in coot?

2021-07-27 Thread Paul Emsley
On Tue, 2021-07-27 at 03:01 +0100, Yuqi Zhang wrote:

> I have a question. How to build the N-terminal H atom and C-terminal OH group 
> in coot?

Calculate -> Modelling -> Add Hydrogen Atoms will add hydrogen atoms to your 
model
If you want just the N-terminal residue you will have to do a Copy Fragment 
first.

Do have have an example (accession code) where the C-terminus is protonated?

>  Is there any difference in different version? My coot version is 0.8.2.

Yes, Adding hydrogen atoms had been added to Coot within the last 7 years.

Paul.



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 issued to members of www.jiscmail.ac.uk/COOT, a mailing list 
hosted by www.jiscmail.ac.uk, terms & conditions are available at 
https://www.jiscmail.ac.uk/policyandsecurity/