Hi,
i just set auto_sculpt and after I protect all my protein but the
residue (group of residues) i want to sculpt. I wrote several .pml to
switch to the next residue or deprotect only the side_chain,fix an atom
(protect pk1) etc... that I call from the script_box (see the links on
the web-site).
It works really well for me it's twice faster than with O (but i'm not
really good with O).
Thanks to warren for this software.
Jim Nettles a écrit :
Hello all,
Perhaps I'm awaking from hibernation or something, but the communication
below came as a surprise to me.
Do I read this correctly that Pymol does real space refining into
electron density using the sculpting function? If so, that is great! I
apologize if this has been discussed before and I missed it. Could
someone please clue me in as to how to best use this function?
Thanks,
Jim Nettles
On Aug 30, 2005, at 8:33 AM, Warren DeLano wrote:
Mathieu,
Deselect Sculpting from the builder menu or "unset sculpting"
Note that if you're doing this a lot, then create some custom on/off
function keys as follows:
# F1 to turn on sculpting
cmd.set_key('F1',lambda :(cmd.set("sculpting"),cmd.set("auto_sculpt")))
# F2 to turn off sculpting
cmd.set_key('F2',lambda
:(cmd.unset("sculpting"),cmd.unset("auto_sculpt")))
Cheers,
Warren
*From:* pymol-users-ad...@lists.sourceforge.net on behalf of Mathieu
Coincon
*Sent:* Mon 8/29/2005 8:26 AM
*To:* pymol-users@lists.sourceforge.net
*Subject:* [PyMOL] Refinement in auto_sculpt
Hi,
i'm usinig pymol for modelling my protein in electron density.
I like it very much but there is one thing I would like to understand.
Is there a way to stop the refinement of the geometry:
I'm using auto_sculpt and I protect/deprotect the protein but
sometimes the
refinemt run during a long time I would like to stop it ? i played
with the
number of cycles and other parameters but it didn't work.
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