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Re: [IMP-users] PMI with multiple PDBs



On 11/4/20 5:38 AM, Altair Hernández wrote:
I am trying to use multiple PDB files using the PMI multiscale modelling protocol. I'm doing it by creating different PMI.states within the main system. Is this the IMP.pmi way to do it?
What are you trying to achieve here? Multistate modeling is used when 
you have multiple conformations and/or compositions present in your 
sample, such that your experimental data can only be satisfied by 
multiple models (e.g. closed/open form, see https://salilab.org/phoq for 
an example).
You can, of course, use multiple PDB files as input for regular 
single-state modeling (a typical application would use a separate PDB 
file for each subunit in a complex). Just list them all in your topology 
file or Python script.
	Ben
--
ben@salilab.org                      https://salilab.org/~ben/
"It is a capital mistake to theorize before one has data."
	- Sir Arthur Conan Doyle