Anthony,
I agree that we need one, but it doesn't currently exist. The same can be said
for surface calculations, especially when you've loaded a 500 frame MD
trajectory and accidentally "show surface" (doh!).
My advice: save sessions often and make liberal use of PyMOL's logging
capability.
It would be nice if there were a button to stop a ray trace, for when it is
started accidentally, or if something is wrong and it is taking too long.
Is there one?
--
Anthony Duff
Postdoctoral Fellow
School of Molecular
Thanks for the reply ...
Do you have a list of which programs pymol might accept input from?
Thanks again-
Doug
DeLano, Warren wrote:
Doug,
(1) I've got a hard deadline to have this capability in the program
less than 1 month from now...not the pot. calc., just the import, rendition
Bartholomeus,
You have run into limitations in PyMOL's handling of single objects.
The answer to both these questions is to split your molecule into multiple
object and color/show independently. Use the "create" command to make copies,
and then use alter to reassign secondary structure codes w
Doug,
(1) I've got a hard deadline to have this capability in the program
less than 1 month from now...not the pot. calc., just the import, rendition,
and coloring.
(2) no clue
Warren
--
mailto:war...@sunesis.com
Warren L. DeLano, Ph.D.
Informatics Manager
Sunesis Pharmaceu
Hi All-
I'll ask my related question first: does anyone know if/when
electrostatic calculations might be incorporated into pymol? Or if you
can import calcs from another (hopefully free) program?
Unrelated question: does anyone know of a secondary structure prediction
program that outputs "
Dear PyMol users,
1.
I'm puzzled with a coloring problem while coloring a protein molecule
accordingly to its secondary structure by using 'discrete color' option:
If there are a helix and/or strand adjacent together (e.g. helix from 1-10
and sheet from 11-20) the small pseudo-loop region between
I found the receipes on your homepage to install PyMol on Macs kind of
convoluted, so here is what I figured after some working hours:
Installation on Mac-OsX 10.2
1) Download fink from www.apple.com and install
2) add "source /sw/bin/init.csh" to /etc/csh.login to let the system know about
fin
