You can switch on symmetry related molecule ghots on via Draw-> Cell &
Symmetry. Find the correct one and then choose File -> Save Symmetry
Coordinates and left-click on desired molecule. I think, it will
introduce you whole dimer, but to remove a chain is easy.
Hope it helps,
Jan
On 10/23/2013 07:31 PM, Nat Echols wrote:
Just to add to Hari's question: I tried to show a user how to do the
same thing last week, and found it much too complicated. I'd love to
see a function that lets me swap chains with their symmetry mates -
this situation comes up all the time and I've also had to resort to
PyMOL in the past. Ideally there would be a menu item that would
direct me to select a chain, then pop up a dialog box showing a list
of symmetry operators, similar to the rotamer selection dialog.
thanks,
Nat
On Wed, Oct 23, 2013 at 8:48 AM, hari jayaram <hari...@gmail.com
<mailto:hari...@gmail.com>> wrote:
I have a question about the expanded syminfo labels in coot and
the menu item : Extensions-Modelling-New Molecule from symop.
I have a dimer in the assymetric unit in which the two molecules
that phaser picked as the solution do not share any contact area .
I want to put chain A together with a symmetry generated B molecule.
In my case the molecule that "should" represent B with a maximal
interface with A has the expanded symmetry label in coot
-X , Y + 1/2, -Z + (1 -1 1) & (1 0 0 )
I however cannot use this label in "get new molecule from symop"
to give me the sym-mate with the maximum contact area because the
translation is off. I am a little bad at visualizing the matrix
operations to edit the matrix to get the right sym-mate.
In the past I have done this in pymol where I use the
"Action-generate- symmetry around a radius-100" and then gone
hunting through the sym-mates pymol generates till I get the right
one.
My question is :
Is there a way to accomplish this within coot..or am I not using
the symop label properly.
I also know the online PISA ebi web interface writes out the
correct "B" molecule which maximizes the A-B interface. I could
not get the ccp4 provided PISA to output the same --at least using
the default ccp4i settings for PISA.
Thanks
Hari
