-----BEGIN PGP SIGNED MESSAGE-----
Hash: SHA1
Hi Bernhard,
this is pretty useful. Can the 'make distance restraint' window be
made 'stay open' (similar to the 'delete' window)? That way one could
click through their beta-sheet and e.g. define the hydrogen bonds.
Their may be votes against this, but I think at 3'is A resolution that
would be of great benfit!
Best,
Tim
On 05/31/2013 09:20 AM, Bernhard Lohkamp wrote:
>
> Sorry, just quickly: load
>
> user-define-restraints (scm or py)
>
> there are several function to make own restraints (incl DNA/RNA as
> well as some simple, experimental ProSMART interface - which is the
> way to go for secondary structure restraints, I believe).
>
> B
>
>> Is there some non-convoluted way to force Watson-Crick hydrogen
>> bonds during real space refinement? And a related question - is
>> there some way to define secondary structure (helices/sheets) for
>> the whole molecule (maybe based on header) and then enforce it?
>>
>> One way I see right now is to supply LINK records (which I assume
>> coot will honor but I may be wrong) for every hydrogen bond that
>> defines secondary structure. It would also probably require
>> adjusting parameter files to provide distance restraints? That
>> would take some scripting, which is no big deal. But I don't
>> want to invent something that coot may already have a tool for.
>>
>> This stuff may be useful at low resolution, which is pretty much
>> what one generally gets with protein-DNA complexes.
>>
>> Cheers,
>>
>> Ed.
>>
>
>
- --
- --
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 Mozilla - http://enigmail.mozdev.org/
iD8DBQFRqFZxUxlJ7aRr7hoRAumdAKCp4Y4EKRqghF5ITdJJmTw1ZO7QQQCg8FqU
1xnJSNllNjUbY+EPR2091eY=
=Wx7K
-----END PGP SIGNATURE-----
|