Re: [PyMOL] (no subject)

2014-07-02 Thread Thomas Holder
Hi Aliya,

yes, likely there is a clash. But that's hard to tell without seeing your data.

Cheers,
  Thomas

On 01 Jul 2014, at 11:34, Aliya Holland  
wrote:
> Hello,
> 
> I just created an animation of a conformational change of a specific domain 
> on a molecule. During the animation the domain rotates just as it should,  
> however other parts of the molecule moves with the conformation change. I was 
> wondering if that was part of the PyMOL programming or if there was a clash 
> between the end domain and the rotating section. Why would there be movement 
> in the entire molecule when only one section of it is morphing. 
> 
> Thank you 
> 
> A

-- 
Thomas Holder
PyMOL Developer
Schrödinger, Inc.


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Re: [PyMOL] Aligning multiple residue sets in two or more proteins

2014-07-02 Thread Rajintha Bandaranayake
Monica,

Try:

align PDB1//A/80-120+160-220/, PDB2//A/80-120+160-220/
or if you want to align using the alpha carbons,
align PDB1//A/80-120+160-220/CA, PDB2//A/80-120+160-220/CA

Cheers,
-Rajintha

On Wed, Jul 2, 2014 at 7:22 AM, Monica Mittal 
wrote:

> Dear all
> I need to align lets say resi 80-120 and 160-220 from one protein to resi
> 80-120 and 160-220 in second protein. How can i do this.
> I tried following:
> align PDB1 and resi 80-120, PDB2 and resi 80-120
> this is for one set but how to do for two sets 80-120 as well as 160-220
> simultaneously.
> Thank you
> Monica
>
>
> --
> Open source business process management suite built on Java and Eclipse
> Turn processes into business applications with Bonita BPM Community Edition
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Re: [PyMOL] Aligning multiple residue sets in two or more proteins

2014-07-02 Thread Andreas Warnecke
Hi Monica,

I haven't tested, but maybe you could try:
align PDB1 and (resi 80-120 or resi 160-220), PDB2 and (resi 80-120 or resi
160-220)

I.e. expanding the selection to both streches. Running sequential
alignments will replace existing ones.
How this may help.

/Andreas
On Jul 2, 2014 1:24 PM, "Monica Mittal"  wrote:

> Dear all
> I need to align lets say resi 80-120 and 160-220 from one protein to resi
> 80-120 and 160-220 in second protein. How can i do this.
> I tried following:
> align PDB1 and resi 80-120, PDB2 and resi 80-120
> this is for one set but how to do for two sets 80-120 as well as 160-220
> simultaneously.
> Thank you
> Monica
>
>
> --
> Open source business process management suite built on Java and Eclipse
> Turn processes into business applications with Bonita BPM Community Edition
> Quickly connect people, data, and systems into organized workflows
> Winner of BOSSIE, CODIE, OW2 and Gartner awards
> http://p.sf.net/sfu/Bonitasoft
> ___
> PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net)
> Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users
> Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net
>
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[PyMOL] Aligning multiple residue sets in two or more proteins

2014-07-02 Thread Monica Mittal
Dear all
I need to align lets say resi 80-120 and 160-220 from one protein to resi
80-120 and 160-220 in second protein. How can i do this.
I tried following:
align PDB1 and resi 80-120, PDB2 and resi 80-120
this is for one set but how to do for two sets 80-120 as well as 160-220
simultaneously.
Thank you
Monica
--
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