...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
-Original Message-
From: pymol-users-ad...@lists.sourceforge.net [mailto:pymol-users-
ad...@lists.sourceforge.net] On Behalf Of Douglas Kojetin
Sent: Monday, January
a standalone Python script, I'd sure
like to hear it : )].
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
-Original Message-
From: pymol-users-ad...@lists.sourceforge.net [mailto:pymol-users
to Debian, in order to debug the problem, you might want to
send me a PyMOL session file which crashes on your system when the next
command issued is ray.
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax
...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
-Original Message-
From: pymol-users-ad...@lists.sourceforge.net [mailto:pymol-users-
ad...@lists.sourceforge.net] On Behalf Of Matt Franklin
Sent: Tuesday, January 20
, ss h and name ca
set cartoon_discrete_colors, on
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
-Original Message-
From: pymol-users-ad...@lists.sourceforge.net
Lesley,
If you always want PyMOL to start in a different directory, you
can create a .pymolrc file in you home directory with a command like
cd /users/lesley/scripts
Which will be executed every time you start PyMOL.
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L
fails, then please try saving a png
file of what you see on the screen (png filename.png). If that PNG
file exhibits any distortion or artifacts, then that's the cause of the
problems. Otherwise, PyMOL may have a bug...
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D
Roger,
This isnt possible right now. The only way to do it is to
create two objects, surfacing different atoms in each object, and then
enabling transparency in just one of the two objects.
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
-Original Message-
From: pymol-users-ad...@lists.sourceforge.net [mailto:pymol-users-
ad...@lists.sourceforge.net] On Behalf Of Steven F. Killen
PyMOL Users,
This is the final reminder that I am now off-line and away from DeLano
Scientific (which will be closed) until January 7th.
Everyone please have a wonderful holiday and a Happy New Year!
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal
Avram,
set cartoon_highlight_color, red
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
-Original Message-
From: pymol-users-ad...@lists.sourceforge.net
,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
-Original Message-
From: pymol-users-ad...@lists.sourceforge.net
[mailto:pymol-users-ad...@lists.sourceforge.net] On Behalf Of Roger Dodd
PowerBooks)
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
-Original Message-
Sent: Thursday, December 18, 2003 5:45 AM
To: war...@delanoscientific.com
Subject: pymol
Hi,
I plan
...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
-Original Message-
From: pymol-users-ad...@lists.sourceforge.net
[mailto:pymol-users-ad...@lists.sourceforge.net] On Behalf Of David A.
Horita
Sent: Thursday
/PyMOL.app/Contents/MacOS/PyMOL -BGS
Alternative, you could simply click on the PyMOL Stereo icon in the
Demos folder.
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
-Original
...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
-Original Message-
From: pymol-users-ad...@lists.sourceforge.net [mailto:pymol-users-
ad...@lists.sourceforge.net] On Behalf Of Michal Bozon
Sent: Saturday, December 13
in the Map, before trying to use the color ramps. There may also be
some code in the chempy brick stuff which could serve as an example for
populating the list.
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
them
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
-Original Message-
From: pymol-users-ad...@lists.sourceforge.net [mailto:pymol-users-
ad...@lists.sourceforge.net
is in angstrom units.
To display the density around a ligand, create a mesh using the carve
option.
load map.ccp4
load protein.pdb
load ligand.pdb
isomesh m1, map, 1.0, ligand, carve=2.1
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific
...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
applications. But if you still want to use PyMOL,
then you'll need to convert your files into something like .mol or
.pdb...
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
open through January for those who meet the six
qualifications.
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
-Original Message-
From: pymol-users-ad...@lists.sourceforge.net [mailto:pymol-users-
ad...@lists.sourceforge.net] On Behalf Of Laurence Pearl
Sent: Tuesday, December 02, 2003 5
...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
-Original Message-
From: pymol-users-ad...@lists.sourceforge.net [mailto:pymol-users-
ad...@lists.sourceforge.net] On Behalf Of Michael Bovee
Sent: Tuesday, December 02
meet the six
qualifications.
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
, target_state=1
dele 1f41_tetra
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
-Original Message-
From: pymol-users-ad...@lists.sourceforge.net [mailto:pymol-users-
ad
will provide an easier workaround for
this...
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
-Original Message-
From: pymol-users-ad...@lists.sourceforge.net [mailto:pymol-users
...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
-Original Message-
From: pymol-users-ad...@lists.sourceforge.net [mailto:pymol-users-
ad...@lists.sourceforge.net] On Behalf Of Tina Li
Sent: Monday, December 01, 2003 11
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
map1
isomesh mesh1, map1, 1.0
will generate a mesh with half the spacing of the original map.
Note that map_double can usually only be used once on a given map before
averaging artifacts appear.
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
Python, outside of PyMOL. All you need to do is have
a copy of PyMOL's chempy module available in your PYTHONPATH
from chempy import io
model = io.pkl.fromFile(myprot.pkl)
for atom in model.atom:
print atom.name
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D
I still do not understand your stereo parameters: the
stereo_angle should
define the rotation (around the y-axis) between the pictures
for the left and
right eye, whereas the stereo_shift should define whether the
origin or
midpoint of the picture is within the plane of the screen or
http://pymol.sourceforge.net/faq.html#CITE
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
-Original Message-
From: pymol-users-ad...@lists.sourceforge.net
[mailto:pymol-users-ad
suggest that people perform some kind of
independent check on their system before trusting the results.
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
-Original Message-
From
of
the arginines in the presence of the other atoms, whereas the second
gives the area of the arginines in isolation.
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
-Original
wholeheartedly with money and policies,
and thus drive rapid progress and widespread benefits throughout the
sciences.
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
-Original
.
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
-Original Message-
From: pymol-users-ad...@lists.sourceforge.net
[mailto:pymol-users-ad...@lists.sourceforge.net
...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
-Original Message-
From: pymol-users-ad...@lists.sourceforge.net
[mailto:pymol-users-ad...@lists.sourceforge.net] On Behalf Of
rbax...@uchicago.edu
Sent
.
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
-Original Message-
From: pymol-users-ad...@lists.sourceforge.net
[mailto:pymol-users-ad...@lists.sourceforge.net] On Behalf
...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
Douglas,
Simply:
save filename.pse
ie
save today.pse
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
-Original Message-
From: pymol-users-ad
for a nice combination of the solvent and molecular surfaces.
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
-Original Message-
From: pymol-users-ad...@lists.sourceforge.net
not sure Python's Tkinter
can even work with it. Does anyone out there have experience using
Tkinter on OSX without X11?
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
-Original
(in a whisper)
I'm still in the process of building binaries, but pioneers are welcome
to start downloading 0.92, if your platform is represented. It has been
a long time since our last release, so proceed with caution!
http://sourceforge.net/project/showfiles.php?group_id=4546
Please bring
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
-Original Message-
From: Debian Chooser [mailto:ker...@herocamp.org] On Behalf Of Truls
A.
Tangstad
Sent: Friday, October 17, 2003 3:18 PM
...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
-Original Message-
From: pymol-users-ad...@lists.sourceforge.net [mailto:pymol-users-
ad...@lists.sourceforge.net] On Behalf Of Paulo Lai
Sent: Tuesday
Robert,
alter selection, vdw=number
for example:
alter elem fe, vdw=1.0
rebuild
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
-Original Message-
From: Robert
Fred,
The tkinter dependency is missing. RPM is supposed to check that, but I
forget to add it to the list.
Look for the tkinter RPM on your RH9.0 CDROM (or on the net).
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Tom,
Yes you're right: MGL's stuff messes with PYTHONPATH and possibly
PYTHONHOME. These need to be undefined for PyMOL to work correctly.
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax
://www.delanoscientific.com/about.html ).
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
this as a sys.argv styled list of command line arguments.
import __main__
__main__.pymol_argv['pymol','-qc']
import pymol
pymol.finish_launching()
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593
Nick,
There are a few commands that I've been using for which I can't seem
to
find a command line equivalent:
This actions can be performed using selections with standard atom
identifiers:
show/hide mainchain atoms
show lines, object-nameca+c+n+o+h
hide lines, object-nameca+c+n+o+h
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
-Original Message-
From: pymol-users-ad...@lists.sourceforge.net [mailto:pymol-users-
ad...@lists.sourceforge.net] On Behalf Of Jason Thomas Maynes
Sent: Friday, October 10, 2003
Shu-hsien
Sure, instead of cmd.select, use
cmd.do(select ligand, resn XYZ)
cmd.do(select protein, ! ligand )
etc.
./pymol -qc select_box.py
Is the command line mode of PyMOL. pymol -qc can be used like
python in most cases.
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L
. Typically
each ray-tracing scene will have a different optimum, but usually
140-180 gives the shortest overall rendering times.
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
Also note that by some conventions, 2OA2 in a PDB file really means
atom OA22.
I didn't know that. What conventions are those?
Furthermore, in your example
-ovc lavc -lavcopts vcodec=mpeg4:vbitrate=6000:vhq:keyint=30)
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
-Original Message-
From: pymol-users-ad
68.174 20.275 0.00 41.05
O
Which is as close as I think PyMOL is going to get...
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
-Original Message-
From: pymol-users
Meitian,
Sorry, this is not possible.
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
-Original Message-
From: pymol-users-ad...@lists.sourceforge.net
2.0,# Radius
1.0, 1.0, 1.0, # RGB Color 1
1.0, 1.0, 1.0, # RGB Color 2
1, 1, # End caps (0=none, 1=flat, 2=round)
] )
cmd.load_cgo(obj,'my_cgo')
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific
Tina,
I have two operations that I want to perform, and am not aware of a
simple
way
(if possible) of doing them. So here it goes:
1. how (if possible) to retrieve the color for a residue as identified
in
an
expression, e.g. resi 9? Note that it's not a range so no multiple
answers
is
Nat,
Are you running stock RedHat 9.0? The threading library in RH90 is
broke. You may need to apply the glibc patches released by RedHat in
order to get a stable system.
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650
of peptides and arbitrary small molecules, but it knows nothing about
forces and energies.
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
-Original Message-
From: pymol
), a
copy of the problematic PNG file.
Thanks,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
-Original Message-
From: pymol-users-ad...@lists.sourceforge.net [mailto:pymol-users-
ad
First up: Is there any way to tell PyMol *not* to change its view when
loading a
PDB file
set auto_zoom,0
Secondly: Below is an example of a small hack I have written when
making
one
particular movie. This one overlays two molecules related by a 2-fold
axis by
doing a simple rotation.
_cmd isn't meant to be called by anyone
except PyMOL.
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
-Original Message-
From: pymol-users-ad...@lists.sourceforge.net
by
unpickling them in a Python interpreter.
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
-Original Message-
From: pymol-users-ad...@lists.sourceforge.net [mailto:pymol-users
visual artifacts will occur with
standard OpenGL rendering.
If you're on a PC, then you'll need to wait for the next big
release, which will probably happen next week.
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice
Thomas,
I tried running your script on the current development version
and on a version 0.90 binary, and wasn't able to get PyMOL to crash.
How is PyMOL installed on your system?
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal
...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
-Original Message-
From: pymol-users-ad...@lists.sourceforge.net [mailto:pymol-users-
ad...@lists.sourceforge.net] On Behalf Of Dirk Kostrewa
Sent: Monday
Uwe,
We plan a research project where we want to stepwise incorporate
D-amino
acids into a peptide. To determine the exchanges it would be very
useful
if
PyMol could assist.
If I might dream I would like to have D-amino acids (and maybe other
un-
usual amino acids) available in the
computer for research --
Apple's first in a long time, and hopefully more will come if we
appropriately reward this one with our business.
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
menu, which then creates it's own window in response to user
requests.
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
-Original Message-
From: pymol-users-ad
Raji,
Sorry, PyMOL can't do that yet. However, since you are probably
the 10th person to ask for this, so it has become high priority for a
future version...
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice
.
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
-Original Message-
From: pymol-users-ad...@lists.sourceforge.net [mailto:pymol-users-
ad...@lists.sourceforge.net] On Behalf
Yes, but you need to write in Python directly. For example:
from pymol import cmd
cmd.select(mysel,none)
for i in range(10,20): cmd.select(mysel,mysel or resi %d%i)
Would work in a .py file.
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
Tina,
layer0/MemoryCache.c is missing from the list of sources in
the setup.py file. If you add that in right after the
layer0/MemoryDebug.c, it should build.
Sorry about that!
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano
Jan,
Thanks for that -- copy hereby sent to the PyMOL list. This is
a relief. I was wondering why strange bounced email was coming back and
had become concerned that infection had occurred here despite every
precaution.
SMTP-based email is indeed a hopeless cause. I vote
Thanks for your code!
P.S. I wish this mailing list had archives ...
But it does!
http://sourceforge.net/mailarchive/forum.php?forum_id=60
You can search by keyword. Look for the text box upper-left.
Cheers,
Warren
slightly.
Are you finding otherwise?
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
-Original Message-
From: pymol-users-ad...@lists.sourceforge.net [mailto:pymol-users-
ad
Jose,
Select the bond using Ctrl-right-click, then either unbond
pk1,pk2 or hit Ctrl-D.
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
-Original Message-
From
Tina,
That would be very difficult to do at present...I'll take this
as a suggestion for a future version.
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
-Original
of PyMOL should not suffer from this problem.
alter all.type='ATOM'
alter name P,name='P1'
sort
Thanks for your help in quashing that bug!
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
If I understand the question correctly, the answer is
disable ramp-name
Cheers,
Warren
Hello:
Is there anyway to remove the colour ramp from an electrostatic
potential
figure via a script (help hide doesn't list anything reasonable for
this
and there is nothing that I can see in the
David,
The problem: PyMOL sorts PDB hetatms apart from molecules. The
solution:
alter all, type='ATOM'
sort
rebuild
I'm thinking about disabling this behavior before the next release.
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano
David,
The problem: PyMOL sorts PDB hetatms apart from molecules. The
solution:
alter all, type=ATOM
sort
rebuild
Im thinking about disabling this behavior before the next release
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano
can be restored by changing two settings
(ray_oversample_cutoff-0 and antialias-0 or 2).
If you have strong objections to these changes, please speak up.
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
someone
explain
what
the different elems CHNOS* represent? I'd really appreciate more
comprehensive documentation.
That's just the coloring for Carbon, Hydrogen, Nitrogen, Oxygen, Sulfur,
in the color pop-up menu.
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D
Gareth,
CGO is currently the way to go...
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
-Original Message-
From: pymol-users-ad...@lists.sourceforge.net
. Today I also added support for InsightII's ascii/formatted grid file
(just in case anyone has some old Biosym GRD files lying around...).
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
...)
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
-Original Message-
From: pymol-users-ad...@lists.sourceforge.net [mailto:pymol-users-
ad...@lists.sourceforge.net] On Behalf Of Becker, Joseph W
Sent
...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
John,
The native OSX port is incomplete with respect to the user
interface. You can get the complete package if you use the Fink version
under X11.
PyMOL doesn't export 3D data well at present.
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D
with
any effective way of doing it without risking a floating exception on
finicky hardware.
Any ideas? If we can just determine the enddian-ness of the incoming
file, then the rest is a snap.
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific
Jason,
In version 0.90, there is a ribbon_trace setting which allows
you to do this for the ribbon representation. In versions 0.91+, I've
added the same thing for cartoons cartoon_trace.
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
I just download PYMOL into my Linux and it's working very nicely but I
want to check
whether it is possible to move a pdb file within a 3D density map
independently to get a
best fitting.
Yes, you can move the molecule, but not the map.
First, get into editing mode:
edit_mode
(or select
1- calculation of surface potentials- will this be coming soon?
Creation of a Possion-Boltzman solver is a bit of work, so this will not
happen very soon -- probably not until we accumulate enough sponsorship
to contract with someone to perform the task. But perhaps someone might
volunteer to
this helps.
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
-Original Message-
From: pymol-users-ad...@lists.sourceforge.net [mailto:pymol-users-
ad
.
For hardware or cross-eye,
set stereo_shift, 4
For walleye,
set stereo_angle, 1.95
set stereo_shift, 4
Cheers,
Warren
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
menus...
--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
1 - 100 of 165 matches
Mail list logo