Is It Possible To Superimpose Multiple Templates To One Structure?

Question

[Elmo]

Hi,

I modelled a structure by multiple templates approach. Just wondering, if I were to do superimposition of my model to the templates, do I merge the templates together then align with my structure? And how can I do so? Please advice.

Thanking you in advance.

Best regards, Elmo

Answer 1

[João Rodrigues]

Hi,

Multiple templates are not necessarily contiguous so I'd align them individually. Just keep the model as a reference and align each template, individually, onto it. In Pymol this can be done using the cealign command for example:

cealign model, template_1
cealign model, template_2
cealign model, template_3
.....

I hope this answers the question, it could use a bit more of clarification.

[quentin.delettre]

Could the "align all to this" button in the right context panel of the modelled structure in pymol be the same ?

[João Rodrigues]

Yes, but it uses 'align' by default and you cannot control where each template aligns (if you have nice templates it's easy).

[Elmo]

Thank you @Joao for your kind reply!