data-raw/SARS_CoV_2.R

In sungkyujung/ClusTorus: Prediction and Clustering on the Torus by Conformal Prediction

## code to prepare `SARS_CoV_2` dataset goes here
library(bio3d)
library(tidyverse)
pdb <- bio3d::read.pdb("6vxx")

SARS_CoV_2 <- bio3d::torsion.pdb(pdb)
SARS_CoV_2 <- SARS_CoV_2$tbl[, 1:2] / 180 * pi
SARS_CoV_2 <- SARS_CoV_2 %>%
  data.frame(id = rownames(.)) %>%
  mutate(id = trimws(id)) %>%
  separate(id, into = c('position', 'type', 'rest')) %>%
  filter(type == "B") %>% select(c(1,2)) %>% on.torus()

usethis::use_data(SARS_CoV_2, overwrite = TRUE)