Hi Swanand,
yes:
iotbx.show_distances your.pdb > all_distances
will show long list of all distances between pairs including
symmetry related. For symmetry related it will also show the
symmetry operator the relates involved atoms.
Look implementation for underlying code.
Type iotbx.show_distances without arguments to see all options.
Pavel
On 12/5/14 8:41 AM, Swanand Gore wrote:
Hi
All,
I am sure this has been asked and answered a lot of times...
Is there a python script somewhere that reads a mmcif file and for
any residue in it, returns a list of residues within a certain
distance of it. And it returns any symmetry-related copies of
residues too within that distance.
Any pointer greatly appreciated.
Thanks,
Swanand