-----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-----
