Re: [PyMOL] Compare two structures with the same connectivity butdifferent stereochemistry?

[Peng Yu <pen...@gm...>]

It still very hard to see the differences and similarities. They just
look like a mess. Is there a good way to reveal the differences and
similarities? Are the stereochemistry of all the carbons different? It
seems that the best way is just to show the different ones.

On 3/24/20, sujiaqi <su...@im...> wrote:
> You can just input this command to deal with the problem.
>
> PyMOL>align MOL002088, MOL002424
>  Match: read scoring matrix.
>  Match: assigning 1 x 1 pairwise scores.
>  MatchAlign: aligning residues (1 vs 1)...
>  MatchAlign: score 5.000
>  ExecutiveAlign: 93 atoms aligned.
>  ExecutiveRMS: 2 atoms rejected during cycle 1 (RMSD=5.48).
>  Executive: RMSD =    5.238 (91 to 91 atoms)
>
> From: Peng Yu
> Sent: 2020年3月25日 6:28
> To: pym...@li...
> Subject: [PyMOL] Compare two structures with the same connectivity
> butdifferent stereochemistry?
>
> I'd like to compare the difference between the two structures which
> have the same connectivity but different stereochemistry. Could
> anybody show me if there is a way to do so in pymol? Thanks.
>
> http://tcmspw.com/tcmspmol/MOL002088.mol2
> http://tcmspw.com/tcmspmol/MOL002424.mol2
>
> --
> Regards,
> Peng
>
>
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-- 
Regards,
Peng