Re: [IMP-users] Returning original atom coordinates after sampling

[Ben Webb <>]

On 3/29/22 9:50 AM, Altair Hernández wrote:
> Is there any way that IMP returns the original atomic coordinates after 
> sampling?

You can store the configuration before sampling in an IMP::Configuration 
object (or write it out as PDB/mmCIF/RMF) then restore the configuration 
(or read the file back in) afterwards. See also 
https://integrativemodeling.org/nightly/doc/ref/classIMP_1_1Configuration.html

	Ben
--
                      https://salilab.org/~ben/
"It is a capital mistake to theorize before one has data."
	- Sir Arthur Conan Doyle