[COOT] phi/psi angles

2014-03-11 Thread Tim Gruene 
Hello all,

is it possible to get a listing of all phi/psi angles in the peptide?
When I click on the Ramachandran plot they are printed to the console -
how to I get the entire list non-interactively?

Cheers, Tim
-- 
Dr Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen

GPG Key ID = A46BEE1A



signature.asc
Description: OpenPGP digital signature

Re: [COOT] phi/psi angles

2014-03-11 Thread Paul Emsley 

On 11/03/14 11:13, Tim Gruene wrote:

is it possible to get a listing of all phi/psi angles in the peptide?
When I click on the Ramachandran plot they are printed to the console -
how to I get the entire list non-interactively?



Hi Tim,

I've been wanting to add this for a while.  But it's not done.

You have access to the atoms coordinates of course with residue_info() 
but after that you're on your own :-(


Paul.

Re: [COOT] phi/psi angles

2014-03-11 Thread Andrew Leslie 
Hi Tim,

CCP4 program ANGLES will compute phi,psi for you, is this helps.

Andrew


On 11 Mar 2014, at 11:13, Tim Gruene  wrote:

> Hello all,
> 
> is it possible to get a listing of all phi/psi angles in the peptide?
> When I click on the Ramachandran plot they are printed to the console -
> how to I get the entire list non-interactively?
> 
> Cheers, Tim
> -- 
> Dr Tim Gruene
> Institut fuer anorganische Chemie
> Tammannstr. 4
> D-37077 Goettingen
> 
> GPG Key ID = A46BEE1A
>

Re: [COOT] phi/psi angles

2014-03-11 Thread Tim Gruene 
-BEGIN PGP SIGNED MESSAGE-
Hash: SHA1

Great! Thanks a lot, Andrew!

Cheers,
Tim

On 03/11/2014 02:04 PM, Andrew Leslie wrote:
> Hi Tim,
> 
> CCP4 program ANGLES will compute phi,psi for you, is this helps.
> 
> Andrew
> 
> 
> On 11 Mar 2014, at 11:13, Tim Gruene 
> wrote:
> 
>> Hello all,
>> 
>> is it possible to get a listing of all phi/psi angles in the
>> peptide? When I click on the Ramachandran plot they are printed
>> to the console - how to I get the entire list non-interactively?
>> 
>> Cheers, Tim -- Dr Tim Gruene Institut fuer anorganische Chemie 
>> Tammannstr. 4 D-37077 Goettingen
>> 
>> GPG Key ID = A46BEE1A
>> 
> 

- -- 
- --
Dr Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen

GPG Key ID = A46BEE1A

-BEGIN PGP SIGNATURE-
Version: GnuPG v1.4.12 (GNU/Linux)
Comment: Using GnuPG with Icedove - http://www.enigmail.net/

iD8DBQFTHxHJUxlJ7aRr7hoRAiXEAJ9kk2tOpR2uPNcbqR97HjqXtWT9ZgCdEVjO
5gumgMQicS8PV5foCLUPKJY=
=3tHu
-END PGP SIGNATURE-