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Lattice-Automation / seqfold

nucleic acid folding
MIT License
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Expected result dose not match calculated result #11

Closed GuyTadmor-28 closed 2 years ago

GuyTadmor-28 commented 2 years ago

Hi, I was just tried to work with the following example from the README file:

just returns minimum free energy dg("GGGAGGTCGTTACATCTGGGTAACACCGGTACTGATCCGGTGACCTCCC", temp = 37.0) # -12.94

And the result I got is -13.4 (and not -12.94 as stated in the example). Could this be due to dependencies or something else?

Thanks

jjti commented 2 years ago

Hey there and thanks a ton for pointing this out. The energies changed slightly a year ago, which led to this difference: https://github.com/Lattice-Automation/seqfold/commit/e400b961943d9e170a0e541d7895917cd54e1064

# josh at Joshuas-MacBook-Pro.local in ~/Github/seqfold/seqfold on git:master ✖︎ [19:56:28]
→ seqfold GGGAGGTCGTTACATCTGGGTAACACCGGTACTGATCCGGTGACCTCCC -t 37
-13.4
jjti commented 2 years ago

fixed README in https://github.com/Lattice-Automation/seqfold/commit/4a943323d4e3535102a2746bc6f2df81d3bd1410

Thanks again!