Eşleme veri çerçevesine dayalı olarak karakter listesini kayan dizilerle değiştirin

Aug 19 2020

Bir eşleme veri çerçevem ​​ve her satırın dizisiyle birlikte proteini temsil ettiği büyük bir veri çerçevem ​​var.

Eşleme veri çerçevesine dayalı olarak amino aside karşılık gelen değerlere dizileri eşlemek için verimli bir yol istiyorum.

Sırayı yineleyip aşağıdaki kodla değiştirebildim:

calcStickiness <- function(seq) {
  seq_iter <- strsplit(unlist(seq), "")[[1]]
  transformed_seq <- c()
  for (c in seq_iter) {
    transformed_seq <- c(transformed_seq, stickiness_tabel[stickiness_tabel["X"] == c][2])
  }
  print(transformed_seq)
}
# calling the function
calcStickiness(row["sequence_full"][1])

Nerede stickiness_tabel:

structure(list(X = c("K", "E", "D", "N", "Q", "S", "P", "R", 
"T", "H", "A", "G", "M", "V", "L", "I", "F", "C", "Y", "W"), 
    x = c(-1.25639466063649, -0.928687786101206, -0.700106643211895, 
    -0.356971499674196, -0.295054350932285, -0.209468209138379, 
    -0.177787659972006, -0.0892949396458573, 0.0576667944592403, 
    0.215277407729333, 0.263739398989502, 0.556792734365241, 
    0.7448899445842, 0.900506232741908, 1.06680680601946, 1.18416532767113, 
    1.68723510186035, 1.70109173545121, 1.70150269278206, 2.01452547017961
    )), class = "data.frame", row.names = c(NA, -20L))

Bunu yapmanın daha hızlı bir yolu olup olmadığını bilmek istedim çünkü dizimin veri çerçevesinin içinde çok sayıda girdi var.

Veri çerçevesinin basit bir satırı:

structure(list(X = 1L, code = "12as_1", nsub2 = 2L, pdb_error2 = "NO", 
    QSBIO_err_prob = 3.5, chain_name = "B", sequence_full = "MKTAYIAKQRQISFVKSHFSRQLEERLGLIEVQAPILSRVGDGTQDNLSGAEKAVQVKVKALPDAQFEVVHSLAKWKRQTLGQHDFSAGEGLYTHMKALRPDEDRLSPLHSVYVDQWDWERVMGDGERQFSTLKSTVEAIWAGIKATEAAVSEEFGLAPFLPDQIHFVHSQELLSRYPDLDAKGRERAIAKDLGAVFLVGIGGKLSDGHRHDVRAPDYDDWSTPSELGHAGLNGDILVWNPVLEDAFELSSMGIRVDADTLKHQLALTGDEDRLELEWHQALLRGEMPQTIGGGIGQSRLTMLLLQLPHIGQVQAGVWPAAVRESVPSLL"), row.names = 1L, class = "data.frame")

İlgilendiğim yer sequence_full.

Düzenle

aşağıdaki satır için:

MKTAYIAKQRQISFVKSHFSRQLEERLGLIEVQAPILSRVGDGTQDNLSGAEKAVQVKVKALPDAQFEVVHSLAKWKRQTLGQHDFSAGEGLYTHMKALRPDEDRLSPLHSVYVDQWDWERVMGDGERQFSTLKSTVEAIWAGIKATEAAVSEEFGLAPFLPDQIHFVHSQELLSRYPDLDAKGRERAIAKDLGAVFLVGIGGKLSDGHRHDVRAPDYDDWSTPSELGHAGLNGDILVWNPVLEDAFELSSMGIRVDADTLKHQLALTGDEDRLELEWHQALLRGEMPQTIGGGIGQSRLTMLLLQLPHIGQVQAGVWPAAVRESVPSLL

Şöyle bir şey almak istiyorum:

[1] " 0.74488994" "-1.25639466" " 0.05766679" " 0.26373940" " 1.70150269" " 1.18416533" " 0.26373940" "-1.25639466" "-0.29505435"
 [10] "-0.08929494" "-0.29505435" " 1.18416533" "-0.20946821" " 1.68723510" " 0.90050623" "-1.25639466" "-0.20946821" " 0.21527741"
 [19] " 1.68723510" "-0.20946821" "-0.08929494" "-0.29505435" " 1.06680681" "-0.92868779" "-0.92868779" "-0.08929494" " 1.06680681"
 [28] " 0.55679273" " 1.06680681" " 1.18416533" "-0.92868779" " 0.90050623" "-0.29505435" " 0.26373940" "-0.17778766" " 1.18416533"
 [37] " 1.06680681" "-0.20946821" "-0.08929494" " 0.90050623" " 0.55679273" "-0.70010664" " 0.55679273" " 0.05766679" "-0.29505435"
 [46] "-0.70010664" "-0.35697150" " 1.06680681" "-0.20946821" " 0.55679273" " 0.26373940" "-0.92868779" "-1.25639466" " 0.26373940"
 [55] " 0.90050623" "-0.29505435" " 0.90050623" "-1.25639466" " 0.90050623" "-1.25639466" " 0.26373940" " 1.06680681" "-0.17778766"
 [64] "-0.70010664" " 0.26373940" "-0.29505435" " 1.68723510" "-0.92868779" " 0.90050623" " 0.90050623" " 0.21527741" "-0.20946821"
 [73] " 1.06680681" " 0.26373940" "-1.25639466" " 2.01452547" "-1.25639466" "-0.08929494" "-0.29505435" " 0.05766679" " 1.06680681"
 [82] " 0.55679273" "-0.29505435" " 0.21527741" "-0.70010664" " 1.68723510" "-0.20946821" " 0.26373940" " 0.55679273" "-0.92868779"
 [91] " 0.55679273" " 1.06680681" " 1.70150269" " 0.05766679" " 0.21527741" " 0.74488994" "-1.25639466" " 0.26373940" " 1.06680681"
[100] "-0.08929494" "-0.17778766" "-0.70010664" "-0.92868779" "-0.70010664" "-0.08929494" " 1.06680681" "-0.20946821" "-0.17778766"
[109] " 1.06680681" " 0.21527741" "-0.20946821" " 0.90050623" " 1.70150269" " 0.90050623" "-0.70010664" "-0.29505435" " 2.01452547"
[118] "-0.70010664" " 2.01452547" "-0.92868779" "-0.08929494" " 0.90050623" " 0.74488994" " 0.55679273" "-0.70010664" " 0.55679273"
[127] "-0.92868779" "-0.08929494" "-0.29505435" " 1.68723510" "-0.20946821" " 0.05766679" " 1.06680681" "-1.25639466" "-0.20946821"
[136] " 0.05766679" " 0.90050623" "-0.92868779" " 0.26373940" " 1.18416533" " 2.01452547" " 0.26373940" " 0.55679273" " 1.18416533"
[145] "-1.25639466" " 0.26373940" " 0.05766679" "-0.92868779" " 0.26373940" " 0.26373940" " 0.90050623" "-0.20946821" "-0.92868779"
[154] "-0.92868779" " 1.68723510" " 0.55679273" " 1.06680681" " 0.26373940" "-0.17778766" " 1.68723510" " 1.06680681" "-0.17778766"
[163] "-0.70010664" "-0.29505435" " 1.18416533" " 0.21527741" " 1.68723510" " 0.90050623" " 0.21527741" "-0.20946821" "-0.29505435"
[172] "-0.92868779" " 1.06680681" " 1.06680681" "-0.20946821" "-0.08929494" " 1.70150269" "-0.17778766" "-0.70010664" " 1.06680681"
[181] "-0.70010664" " 0.26373940" "-1.25639466" " 0.55679273" "-0.08929494" "-0.92868779" "-0.08929494" " 0.26373940" " 1.18416533"
[190] " 0.26373940" "-1.25639466" "-0.70010664" " 1.06680681" " 0.55679273" " 0.26373940" " 0.90050623" " 1.68723510" " 1.06680681"
[199] " 0.90050623" " 0.55679273" " 1.18416533" " 0.55679273" " 0.55679273" "-1.25639466" " 1.06680681" "-0.20946821" "-0.70010664"
[208] " 0.55679273" " 0.21527741" "-0.08929494" " 0.21527741" "-0.70010664" " 0.90050623" "-0.08929494" " 0.26373940" "-0.17778766"
[217] "-0.70010664" " 1.70150269" "-0.70010664" "-0.70010664" " 2.01452547" "-0.20946821" " 0.05766679" "-0.17778766" "-0.20946821"
[226] "-0.92868779" " 1.06680681" " 0.55679273" " 0.21527741" " 0.26373940" " 0.55679273" " 1.06680681" "-0.35697150" " 0.55679273"
[235] "-0.70010664" " 1.18416533" " 1.06680681" " 0.90050623" " 2.01452547" "-0.35697150" "-0.17778766" " 0.90050623" " 1.06680681"
[244] "-0.92868779" "-0.70010664" " 0.26373940" " 1.68723510" "-0.92868779" " 1.06680681" "-0.20946821" "-0.20946821" " 0.74488994"
[253] " 0.55679273" " 1.18416533" "-0.08929494" " 0.90050623" "-0.70010664" " 0.26373940" "-0.70010664" " 0.05766679" " 1.06680681"
[262] "-1.25639466" " 0.21527741" "-0.29505435" " 1.06680681" " 0.26373940" " 1.06680681" " 0.05766679" " 0.55679273" "-0.70010664"
[271] "-0.92868779" "-0.70010664" "-0.08929494" " 1.06680681" "-0.92868779" " 1.06680681" "-0.92868779" " 2.01452547" " 0.21527741"
[280] "-0.29505435" " 0.26373940" " 1.06680681" " 1.06680681" "-0.08929494" " 0.55679273" "-0.92868779" " 0.74488994" "-0.17778766"
[289] "-0.29505435" " 0.05766679" " 1.18416533" " 0.55679273" " 0.55679273" " 0.55679273" " 1.18416533" " 0.55679273" "-0.29505435"
[298] "-0.20946821" "-0.08929494" " 1.06680681" " 0.05766679" " 0.74488994" " 1.06680681" " 1.06680681" " 1.06680681" "-0.29505435"
[307] " 1.06680681" "-0.17778766" " 0.21527741" " 1.18416533" " 0.55679273" "-0.29505435" " 0.90050623" "-0.29505435" " 0.26373940"
[316] " 0.55679273" " 0.90050623" " 2.01452547" "-0.17778766" " 0.26373940" " 0.26373940" " 0.90050623" "-0.08929494" "-0.92868779"
[325] "-0.20946821" " 0.90050623" "-0.17778766" "-0.20946821" " 1.06680681" " 1.06680681"

Çıktı daha sonra bir dosyaya aktarılmalıdır.

Yanıtlar

1 Edo Aug 19 2020 at 17:31

Verileri aynı şekilde çağırdım:


stickiness_tabel <- structure(list(X = c("K", "E", "D", "N", "Q", "S", "P", "R", 
                                         "T", "H", "A", "G", "M", "V", "L", "I", "F", "C", "Y", "W"), 
                             x = c(-1.25639466063649, -0.928687786101206, -0.700106643211895, 
                                        -0.356971499674196, -0.295054350932285, -0.209468209138379, 
                                        -0.177787659972006, -0.0892949396458573, 0.0576667944592403, 
                                        0.215277407729333, 0.263739398989502, 0.556792734365241, 
                                        0.7448899445842, 0.900506232741908, 1.06680680601946, 1.18416532767113, 
                                        1.68723510186035, 1.70109173545121, 1.70150269278206, 2.01452547017961
                             )), class = "data.frame", row.names = c(NA, -20L))

row <- structure(list(X = 1L, code = "12as_1", nsub2 = 2L, pdb_error2 = "NO", 
                             QSBIO_err_prob = 3.5, chain_name = "B", sequence_full = "MKTAYIAKQRQISFVKSHFSRQLEERLGLIEVQAPILSRVGDGTQDNLSGAEKAVQVKVKALPDAQFEVVHSLAKWKRQTLGQHDFSAGEGLYTHMKALRPDEDRLSPLHSVYVDQWDWERVMGDGERQFSTLKSTVEAIWAGIKATEAAVSEEFGLAPFLPDQIHFVHSQELLSRYPDLDAKGRERAIAKDLGAVFLVGIGGKLSDGHRHDVRAPDYDDWSTPSELGHAGLNGDILVWNPVLEDAFELSSMGIRVDADTLKHQLALTGDEDRLELEWHQALLRGEMPQTIGGGIGQSRLTMLLLQLPHIGQVQAGVWPAAVRESVPSLL"), row.names = 1L, class = "data.frame")

Şimdi, yapabileceğiniz şey şudur:

stickiness <- setNames(stickiness_tabel$x, stickiness_tabel$X)
lapply(strsplit(row$sequence_full, split = ""), function(x) stickiness[x])

Sayısal vektörlerin bir listesini döndürür. Listenin her bir öğesi, dönüştürdüğünüz satıra karşılık gelir ve her vektör, karşılık gelen harfle adlandırılan, yapışkanlık düzeylerinin adlandırılmış bir vektörüdür.

Beklediğiniz çıktı bu mu? Çünkü sorunuz bana açık değil.

1 Humpelstielzchen Aug 19 2020 at 18:10

Belki bir data.tableçözüm ihtiyaçlarınıza uygun olacaktır.

Sağladığınız satırı tekrarlayarak 1000 satırlık örnek bir veri kümesi oluşturdum.


library(data.table)

df <- row[rep(1, 1000),] #repeat row
df_dt <- setDT(df) # convert to data.table

value <- setNames(stickiness_tabel$x, stickiness_tabel$X)


start <- Sys.time()

df_dt[, sequence_full := lapply(sequence_full, function(x) value[unlist(strsplit(x, split = ""))])]

end <- Sys.time()
end - start

Time difference of 0.03744602 secs


df_dt[1, sequence_full]

[[1]]
          M           K           T           A           Y           I           A           K           Q 
 0.74488994 -1.25639466  0.05766679  0.26373940  1.70150269  1.18416533  0.26373940 -1.25639466 -0.29505435 
          R           Q           I           S           F           V           K           S           H 
-0.08929494 -0.29505435  1.18416533 -0.20946821  1.68723510  0.90050623 -1.25639466 -0.20946821  0.21527741 
          F           S           R           Q           L           E           E           R           L 
 1.68723510 -0.20946821 -0.08929494 -0.29505435  1.06680681 -0.92868779 -0.92868779 -0.08929494  1.06680681 
          G           L           I           E           V           Q           A           P           I 
 0.55679273  1.06680681  1.18416533 -0.92868779  0.90050623 -0.29505435  0.26373940 -0.17778766  1.18416533 ...

Yapışkanlık tablonuzu bir vektöre dönüştürüyor ve sequence_fullher satırdaki her biri için onu indeksliyor .

Çıktısını almak için şunları yapabilirsiniz:

write.csv(stack(unlist(df_dt[1, sequence_full])), file = "~/sequence_output.csv", row.names = F)

Bu, yapışkanlık değerine sahip bir sütuna ve sıra öğesi ile diğerine sahip bir csv döndürür.