Re: [ccp4bb] structure alignment based on the ligand

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CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

Previous message:
Subject: Re: structure alignment based on the ligand
From: Miri Hirshberg miri {- at -} EBI {- dot -} AC {- dot -} UK
Date: 2009-04-13

Next message:
Subject: Re: cad gives a fortran runtime error in line 869 : comparing phase sets
From: "Randy J {- dot -} Read" rjr27 {- at -} CAM {- dot -} AC {- dot -} UK
Date: 2009-04-13

Subject: Re: structure alignment based on the ligand
From: junfeng liu jliu {- at -} NIMR {- dot -} MRC {- dot -} AC {- dot -} UK
Date: 2009-04-13

Coot can do that. You can use lsq to overlap the whole atoms of ligands.
Another way is using LigAlign in Pymol.
Good luck!
leo

rui wrote:
> Hi, All
>
> I have dozens of complex structures ( protein + ligand ) and want to
> align the structures based on the ligand. Does anyone know such kind
> of program? Or if can get the information around the ligand site, that
> would be even better.
> Thanks.
>
> R

CCP4bb navigation

CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

Previous message:
Subject: Re: structure alignment based on the ligand
From: Miri Hirshberg miri {- at -} EBI {- dot -} AC {- dot -} UK
Date: 2009-04-13

Next message:
Subject: Re: cad gives a fortran runtime error in line 869 : comparing phase sets
From: "Randy J {- dot -} Read" rjr27 {- at -} CAM {- dot -} AC {- dot -} UK
Date: 2009-04-13