Hi all!
I'm new to pymol and I love it!
I'm wondering if there is a way to obtain the affine transformation used
to superimpose two structures with the align command? I'm a biopython user
and I'd need this matrix for further processing...
Thank you very much!
Kristina
Hi there,
I can get MacPyMol to find distances between a ligand and protein, but
I want to output a list of all of these distances. I have looked
everywhere on how to do this, and I saw another posting with the same
question, but it wasn't answered.
Does anyone out there know how to get a l
Stephanie,
This is a very reasonable request, but unfortunately it is not one that
PyMOL can meet at present -- it will require some significant changes
within the C code for the "distance" command.
Thank you for the suggestion.
Cheers,
Warren
--
Warren L. DeLano, Ph.D.
P
With version 0.98 release, you can get this matrix as a standard 4x4
homogenous transformation matrix:
load targ.pdb
load prot.pdb
align prot, targ
print cmd.get_object_matrix("prot")
The matrix is returned as a tuple of 16 floats, where R is the rotation and
T the translation as follows:
(
R
