In the meantime, you can compact the line by replacing "external" with "exte"
and "residue" with "resi". Not a general solution, but may help in the short
term.
Regards,
Rob
On 29 Nov 2012, at 11:10, Garib N Murshudov wrote:
> Yes, it can be done. I may be able to do it soon. I have to find a
Yes, it can be done. I may be able to do it soon. I have to find a better
delimiter, + may not be good becuase it may be part of atom names.
Another way would be: if you have more than 10-15 atoms then you can divide
planes into several overlapping planes
And yet another way (perhaps better way f
Thank you very much to all of you for your replies.
The external restraints mechanism works perfectly as far as you do not
exceed 468 characters in a string. If one wants to restraint more than
let's say 15 atoms it is not feasible!
Is it possible to list the atoms in a more compact way? I h
Dear Andrea
There are two ways as they were mentioned by Tim and Ian:
1) Using external restraints mechanism. You define something like (it is an
example):
external plane first atom CA chain A residue 25 next atom CB chain B residue 50
next atom OG chain B residue 100 next atom CC chain C resid
Hi Andrea
You need to have an appropriate LINK record in the PDB file but you also
need to specify the link restraints in the CIF file, for example:
data_comp_list
loop_
_chem_comp.id
_chem_comp.three_letter_code
_chem_comp.name
_chem_comp.group
_chem_comp.number_atoms_all
_chem_comp.number_atom
-BEGIN PGP SIGNED MESSAGE-
Hash: SHA1
Dear Andrea,
Have a look at the section "External restraints" -> "Torsion angle
restraints" at the refmac documentation
http://www2.mrc-lmb.cam.ac.uk/groups/murshudov/
You need to find out whether the 'similar type of keywords' for planar
restraints
Hi everybody!
Is there a simple way in REFMAC to restraints a group of atoms
belonging to different residues to lay on a plane? Of course I would
like to set the sigma!
Do I have to add any line in the PDB header? Is it that simple?
Thank you very much!
Andrea
Andrea Pica, Ph.D. student
