i have started working on a space group class that can display symmetry
operators, etc... and i got stuck trying to obtain the space group
information from pymol molecule objects.
- how can i get the space group and unit cell dimensions of an object?
secondly, i am trying to write a wizard
Peter,
The next version of PyMOL has a get_symmetry function which can
be
used to obtain the crystal symmetry of an object.
As far as wizards go, both the name of the file and the name of
the derived class should match. PyMOL expects the first letter of the
class (only) to be ca
Howdy,
I have a pdb file that contains a protein, a ligand and two water
molecules. Everything in the protein is normal, and is listed with ATOM
cards. The ligand and waters are listed as HETATMs. When I show the
surface in PyMOL, I see the surface drawn around the protein only. This
is w
Michael,
Thanks for your question.
flag ignore, atom-selection, set
rebuild
Will enable you to remove the surface from selected atoms. For example:
show surface
flag ignore, resn wat or resi 150, set
rebuild
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Princi
