From cfbe8859304da2d29191c7bfbdcb2363a4e994d3 Mon Sep 17 00:00:00 2001 From: Marco Matthies <71844+marcom@users.noreply.github.com> Date: Tue, 16 Apr 2024 15:49:37 +0200 Subject: [PATCH] docs: explain how to use modified base energy param presets --- README.md | 27 +++++++++++++++++++++++++++ 1 file changed, 27 insertions(+) diff --git a/README.md b/README.md index d350213..e0d3de8 100644 --- a/README.md +++ b/README.md @@ -282,6 +282,33 @@ inverse_pf_fold("AAAAAAA", "((...))") # => ("GCCAAGC", 2.0244526863098145 kcal ViennaRNA.init_rand_seed(42) ``` +### Modified bases energy parameter presets + +Energy parameters for modified bases can be used via ViennaRNA's soft +constraints mechanism. + +```julia +using ViennaRNA +fc = FoldCompound("AAACCCUUU") +partfn(fc) # -0.0025467473022687203 kcal mol^-1 +ViennaRNA.sc_mod_pseudouridine!(fc, [7,8,9]) # modify positions 7, 8, 9 +partfn(fc) # -0.004713416050703315 kcal mol^-1 +``` + +These functions are currently available: +``` +sc_mod_7DA! +sc_mod_dihydrouridine! +sc_mod_inosine! +sc_mod_m6A! +sc_mod_pseudouridine! +sc_mod_purine! +``` +Please refer to the +[ViennaRNA section on modified bases](https://www.tbi.univie.ac.at/RNA/ViennaRNA/doc/html/modified_bases.html) +for more details. + + ## Reducing memory usage When creating many `FoldCompound`s, running `finalize` manually will