Dear Ishan
Would it be possible for you to use a fitting of the atoms of the ligand?
I've done that with success before.
Hope this helps
Folmer
man. 16. dec. 2019 07.38 skrev Ishan Rathore :
> Hi,
>
> I am trying to compare multiple homologous structures of a protein, where
> I am analysing
thesis, you will have to define manually
the equivalent pairs.
Best,
Herman
Von: CCP4 bulletin board mailto:CCP4BB@JISCMAIL.AC.UK>>
Im Auftrag von Eleanor Dodson
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An: CCP4BB@JISCMAIL.AC.UK<mailto:CCP4BB@JISCMAIL.AC.UK>
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,
Herman
Von: CCP4 bulletin board Im Auftrag von Eleanor Dodson
Gesendet: Montag, 16. Dezember 2019 11:53
An: CCP4BB@JISCMAIL.AC.UK
Betreff: [EXTERNAL] Re: [ccp4bb] Problem with structural alignment
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Well CCP4mg does this very nicely and it is easy to check the results - all
displayed on the screen so you can pinpoint outliers..
Eleanor
On Mon, 16 Dec 2019 at 06:38, Ishan Rathore
wrote:
> Hi,
>
> I am trying to compare multiple homologous structures of a protein, where
> I am analysing the
Hi,
I am trying to compare multiple homologous structures of a protein, where I
am analysing the active site residues and the bound substrate/peptide. I
have used multiple methods for alignment in coot and pymol. Every
method gives a slightly different orientation in the active site. Based on
the
