Hi all,
If I have a surface representation, is there currently a way to write it
out as points (perhaps with a desired spacing) to a file? I know that the
answer used to be no, but I thought I'd check just in case there was a new
function that I didn't know about.
Cheers,
-Michael
--
Michael
James,
1) I want to visualise individual water mollecules wich have moved to the
protein interiour during my MD run. How I could hide all solvent water and
visualise only those water wich are within defined cutoff distance from the
protein ?
You can find buried waters with this script:
Hi Michael,
The answer used to be you can write out the surface as mesh in vrml or
povray format, from which you can extract the vertices. I think it's still
the proper answer.
Cheers,
Tsjerk
On Jun 11, 2012 5:26 PM, Michael Lerner mgler...@gmail.com wrote:
Hi all,
If I have a surface
Hi James,
[...] Is there any possible way to merge polar interactions
with the protein structures to one object ?
yes, you can put them in the same group object. This will show them in
the same slot in group mode.
http://pymolwiki.org/index.php/Group
Cheers,
Thomas
--
Thomas Holder
MPI
Hi,
Another way:
There is an undocumented API called 'dump', which can
dump coordinates of isomesh/isosurface to a file.
For mesh, it dumps a list of vertex coordinates, which
can be rendered as GL_LINE_STRIP.
For surface, it dumps a list of pairs of a vertex coordinate
and its vertex normal
Hi all,
Tsjerk- Thanks. I'm not sure how I missed that, given that it's even
mentioned on the wiki on the surface page under the clear heading
Exporting Surface/Mesh Coordinates to File :-|. (
http://www.pymolwiki.org/index.php/Surface#Exporting_Surface.2FMesh_Coordinates_to_File).
I don't know
