Re: [PyMOL] export sequence alignment

2013-04-08 Thread Thomas Holder
Hi Joel,

you can save alignment objects to clustalw format with the save
command. Creating alignment objects with cealign is supported since
version 1.5.0.5. The latest 1.6alpha also fixed swapped mobile/target
arguments for creating alignment objects (only matters if aligning more
than 2 structures).

PyMOL fetch 1oky 1pkg 1t45, async=0
PyMOL remove not chain A
PyMOL cealign 1oky, 1pkg, object=aln
PyMOL cealign 1oky, 1t45, object=aln
PyMOL save alignment.aln, aln

Also keep in mind that this is a all-to-one alignment, not a real
multiple (all-to-all) alignment.

Cheers,
  Thomas

Joel Tyndall wrote, On 04/08/13 01:05:
 Sorry forgot to add, I want to use multiple structures
 
 Hi folks,
 
 Sorry if this has already been asked but can I export the sequence
 alignment from PyMOL? I am looking to use cealign to do this (on
 windows) and I need the structural alignment based sequence alignment.
 
 Other tools maybe? I have mustang already
 
 Cheers
 Joel

-- 
Thomas Holder
PyMOL Developer
Schrödinger Contractor

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[PyMOL] export sequence alignment

2013-04-07 Thread Joel Tyndall
Sorry forgot to add, I want to use multiple structures

Hi folks,

Sorry if this has already been asked but can I export the sequence alignment 
from PyMOL? I am looking to use cealign to do this (on windows) and I need the 
structural alignment based sequence alignment.

Other tools maybe? I have mustang already

Cheers
Joel

_
Joel Tyndall, PhD

Senior Lecturer in Medicinal Chemistry
National School of Pharmacy
University of Otago
PO Box 56 Dunedin 9054
New Zealand
Skype: jtyndall

Ph: +64 3 479 7293

--
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[PyMOL] export sequence alignment

2013-04-07 Thread Joel Tyndall
Hi folks,

Sorry if this has already been asked but can I export the sequence alignment 
from PyMOL? I am looking to use cealign to do this (on windows) and I need the 
structural alignment based sequence alignment.

Other tools maybe? I have mustang already

Cheers
Joel

_
Joel Tyndall, PhD

Senior Lecturer in Medicinal Chemistry
National School of Pharmacy
University of Otago
PO Box 56 Dunedin 9054
New Zealand
Skype: jtyndall

Ph: +64 3 479 7293

--
Minimize network downtime and maximize team effectiveness.
Reduce network management and security costs.Learn how to hire 
the most talented Cisco Certified professionals. Visit the 
Employer Resources Portal
http://www.cisco.com/web/learning/employer_resources/index.html___
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