RE: [PyMOL] homologous alignments?

2004-01-19 Thread Warren L. DeLano
Camille,

If I understand your question, you're looking for the setting
which creates a discrete color transition at the edges of helices and
strands, instead of blending.  It is:

set cartoon_discrete_colors, on

For example

color grey, name ca
color yellow, ss s and name ca
color red, 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 [mailto:pymol-users- 
> ad...@lists.sourceforge.net] On Behalf Of cami...@mrc-lmb.cam.ac.uk
> Sent: Monday, January 19, 2004 7:37 AM
> To: Warren L. DeLano
> Cc: 'Michael Bovee'; pymol-users@lists.sourceforge.net
> Subject: Re: [PyMOL] homologous alignments?
> 
> Hello,
>I am unable to read the archive at the moment so can anyone
tell
> me the command that allows colouring of the edge of helices and
strands
> (usually grey). I think this was posted recently but I don't have it
in
> any of my saved scripts.
> 
> Many thanks,
>   Camille
> 
> Dr Camille Shammas
> Medical Research Council Laboratory of Molecular Biology Hills Road, 
> Cambridge CB2 2QH, UK.
> Tel: +44 (0)1223 402407
> Mobile: 07812035842
> E-mail: cami...@mrc-lmb.cam.ac.uk
> 
> 
> 
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Re: [PyMOL] homologous alignments?

2004-01-19 Thread camille

Hello,
	 I am unable to read the archive at the moment so can anyone tell 
me the command that allows colouring of the edge of helices and strands 
(usually grey). I think this was posted recently but I don't have it in 
any of my saved scripts.


Many thanks,
Camille

Dr Camille Shammas
Medical Research Council Laboratory of Molecular Biology
Hills Road, Cambridge CB2 2QH, UK.
Tel: +44 (0)1223 402407
Mobile: 07812035842
E-mail: cami...@mrc-lmb.cam.ac.uk




RE: [PyMOL] homologous alignments?

2003-11-07 Thread Warren L. DeLano
Michael,

Welcome to PyMOL!  I don't think PyMOL is a replacement for SPDV -- the
feature sets are distinct, and you should be able to use both together.

Yes, I think "align" is what you want.

After...

load x.pdb
load y.pdb

This would do an all-matched-atoms alignment:

align x, y

And this would do a CA-only alignment:

align xca, yca

To see which atoms are aligned, add and object name:

align xca, yca,  object=alignment

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 Of Michael
Bovee
Sent: Friday, November 07, 2003 3:31 PM
To: pymol-users@lists.sourceforge.net
Subject: [PyMOL] homologous alignments?


Hi there,
I'm switching to pymol from swiss pdb viewer because I simply needed
better quality final images, but one of the coolest features of spdbv
was the 'magic fit' where a single mouse click would superpose overall
alignment of, say, the same protein from two different bacterial
organisms (obviously high homology situation) opened in two different
'layers'.

In pymol, it looks like the 'align' command is what I want (don't know
if pymol uses the layers analogy), but I'm having difficulty
understanding if I am to use parentheses and brackets as shown in the
refman.pdf, and the use of this punctuation style doesnt seem to be
defined in the pdf.

USAGE
align (source), (target) [,cutoff [,cycles [,gap [,extend \
[,skip [,object [,matrix [, quiet 

(This style of outlining command formats is probably old hat to
programmers, but that's not me.)

So, is this the right command for superposition alignments in pymol,
after loading pdb files x and y, for instance? Sorry for such a basic
question; its getting late and I'm floundering :0)

Thank you,
--Michael