Re: [ccp4bb] 3D fitting

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

Previous message:
Subject: Re: units of f0, f', f''
From: James Holton JMHolton {- at -} LBL {- dot -} GOV
Date: 2010-02-26

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Subject: 3D-fititng which is actually 2D-fititng
From: Miri Hirshberg miri {- at -} EBI {- dot -} AC {- dot -} UK
Date: 2010-02-26

Subject: Re: 3D fitting
From: Pavel Afonine PAfonine {- at -} LBL {- dot -} GOV
Date: 2010-02-26

On 2/26/10 8:35 AM, Gerard DVD Kleywegt wrote:
> Nope - LSQMAN would still be looking for stretches of sequentially
> ordered residues and would only match atoms with identical names (" CB
> " with " CB ", for instance).
>
> --G
>
> PS: Brownie points for the non-phenix solution, though!

A non-CCP4 (PHENIX) solution is:

phenix.superpose_pdbs fixed.pdb moving.pdb selection_fixed="chain A and
name XY" selection_moving="chain B and name ZX"

which is not as automated as desired since you need to define (manually,
sorry) atoms in moving and fixed structures that will be used in
superposition.

Pavel.

CCP4bb navigation

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

Previous message:
Subject: Re: units of f0, f', f''
From: James Holton JMHolton {- at -} LBL {- dot -} GOV
Date: 2010-02-26

Next message:
Subject: 3D-fititng which is actually 2D-fititng
From: Miri Hirshberg miri {- at -} EBI {- dot -} AC {- dot -} UK
Date: 2010-02-26