Re: [PyMOL] Multiple Structure Superposition

[Thomas H. <sp...@us...>]

Hi Suda and Tsjerk,

there is "alignto" which used cealign. There is also in the menu "Action 
 > align > all to this" which uses cmd.util.mass_align (and that uses 
cmd.align).

On Robert Campbell's site there is the "align_all.py" script: 
http://pldserver1.biochem.queensu.ca/~rlc/work/pymol/

On my PyMOLWiki user page there is a "extra_fit" script.
http://pymolwiki.org/index.php/User:Speleo3

All those align to a reference object (or state, in case of intra_fit) 
instead of an all-against-all best fit.

Cheers,
   Thomas

On 08/29/2011 08:52 AM, Tsjerk Wassenaar wrote:
> Hi Suda,
>
> Do you mean different structures of the same molecule or different
> molecules? For a multistate object, there is intra_fit. for selections
> comprising multiple objects it's not currently possible. But it's
> being worked on.
>
> Cheers,
>
> Tsjerk
>
> On Mon, Aug 29, 2011 at 8:43 AM, Suda Ravindran<bio...@gm...>  wrote:
>> Hi,
>>
>> I would like to know how to do structure based superposition using PyMol for
>> 3 or more structures. Please help me out.
>>
>> Thanks,
>>
>> -Suda

-- 
Thomas Holder
MPI for Developmental Biology