[PyMOL] Loading multiple ligands into a single view

2011-01-21 Thread Tom Dupree
Hello all,

I have a *.sdf (it can be a *.mol2 if that makes it easier) that contains 
multiple ligands. I'd like to open this one file and see them all at once. It 
currently loads each ligand into its own state. Is there a way to over-ride 
this behaviour?

Tom
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Re: [PyMOL] colors and font size while ray tracing

2011-01-21 Thread Schubert, Carsten [PRDUS]
Hi Madhavi,

with regards to your first question:
I usually add text after rendering the stereo figures. That gives much
better control and has the advantage that label come out cleaner. Look
into Canvas, Photoshop or GIMP to do this. As an additional tip you can
control the depth of the labels this way as well. Lets say you want to
label Leu76 in the back of the figure, create one label, copy it to the
other panel and place the same part of the text on the same atom or
point of the residue you want to label. Group the labels and move them
to an unobstructive position. Repeat for the other labels. 
Spheres: Tough to tell, may be you inadvertently changed the depth queue
settings and the spheres got lighter. Did the the rest of the figure
change as well?

HTH

Carsten


 -Original Message-
 From: Nalam, Madhavi [mailto:madhavi.na...@umassmed.edu]
 Sent: Thursday, January 20, 2011 2:36 PM
 To: 'pymol-users@lists.sourceforge.net'
 Subject: [PyMOL] colors and font size while ray tracing
 
 Hello:
 I am trying to generate stereo figures for my manuscript. When I try
to
 ray trace at higher resolution, the font size (I use label_font_id=4)
 is becoming very small. If I use any fonts from the settings tab, the
 font size doesn't change with ray tracing. If I am correct, many
 journals prefer Helvitica/Arial fonts for the publication quality
 figures. So my question is are the fonts found in the settings
 preferred by the journals? If not, can anyone please tell me what can
 be done to keep the font size from decreasing during ray tracing?
 
 Also, I have vdW spheres shown as dots in the figure. The color of the
 dots for the vdW spheres is very light after I ray trace the figure.
 Last week when I ray traced the figure from the same PyMOL session,
the
 colors are much darker!! As far as I know, I haven't changed anything
 in the session file. So can anyone please tell me how to increase the
 darkness of the vdW spheres?
 
 I use PyMOL version 1.3.x on Windows.
 
 Thanks in advance,
 Madhavi
 
 

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Re: [PyMOL] Loading multiple ligands into a single view

2011-01-21 Thread Robert Campbell
Hello Tom,

On Fri, 21 Jan 2011 15:28:26 +1100 Tom Dupree t.dup...@unsw.edu.au wrote:

 Hello all,
 
 I have a *.sdf (it can be a *.mol2 if that makes it easier) that contains
 multiple ligands. I'd like to open this one file and see them all at once.
 It currently loads each ligand into its own state. Is there a way to
 over-ride this behaviour?

You don't need to over-ride the loading behaviour.  You can simply set the
all_states variable to 1 (or on):

set all_states, 1

(or use the Settings - Edit all menu item).

Cheers,
Rob

-- 
Robert L. Campbell, Ph.D.
Senior Research Associate/Adjunct Assistant Professor 
Botterell Hall Rm 644
Department of Biochemistry, Queen's University, 
Kingston, ON K7L 3N6  Canada
Tel: 613-533-6821Fax: 613-533-2497
robert.campb...@queensu.cahttp://pldserver1.biochem.queensu.ca/~rlc

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Re: [PyMOL] Loading multiple ligands into a single view

2011-01-21 Thread Robert Campbell
On Fri, 21 Jan 2011 10:10:02 -0500 Robert Campbell
robert.campb...@queensu.ca wrote:

 Hello Tom,
 
 On Fri, 21 Jan 2011 15:28:26 +1100 Tom Dupree t.dup...@unsw.edu.au wrote:
 
  Hello all,
  
  I have a *.sdf (it can be a *.mol2 if that makes it easier) that contains
  multiple ligands. I'd like to open this one file and see them all at once.
  It currently loads each ligand into its own state. Is there a way to
  over-ride this behaviour?
 
 You don't need to over-ride the loading behaviour.  You can simply set the
 all_states variable to 1 (or on):
 
 set all_states, 1
 
 (or use the Settings - Edit all menu item).

I could have added that you can set this variable specifically for one (or
more) objects.  Say you have a set of structures that you want to see all at
once (we'll call it multi), but you have another object with multiple
states, but you only want to see those one at a time and step through them
(we'll call it single), then you can set the above variable to 1 for just
the one object:

set all_states, 1, multi
set all_states, 0, single

Cheers,
Rob
-- 
Robert L. Campbell, Ph.D.
Senior Research Associate/Adjunct Assistant Professor 
Botterell Hall Rm 644
Department of Biochemistry, Queen's University, 
Kingston, ON K7L 3N6  Canada
Tel: 613-533-6821Fax: 613-533-2497
robert.campb...@queensu.cahttp://pldserver1.biochem.queensu.ca/~rlc

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