29 Mar
2022
29 Mar
'22
2:43 p.m.
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.ht...
Ben
--
ben@salilab.org https://salilab.org/~ben/
"It is a capital mistake to theorize before one has data."
- Sir Arthur Conan Doyle