diff --git a/DESCRIPTION b/DESCRIPTION index f11241b..0763554 100644 --- a/DESCRIPTION +++ b/DESCRIPTION @@ -1,6 +1,6 @@ Package: Peptides Version: 2.2 -Date: 2017-05-25 +Date: 2017-06-05 Title: Calculate Indices and Theoretical Physicochemical Properties of Protein Sequences Authors@R: c(person("Daniel","Osorio",email="dcosorioh@unal.edu.co",role=c("aut","cre")), person("Paola","Rondon-Villarreal",role=c("aut","ths")), diff --git a/NEWS.md b/NEWS.md index c8bde28..8e3e449 100644 --- a/NEWS.md +++ b/NEWS.md @@ -1,9 +1,18 @@ NEWS ==== -**Peptides v.2.1** -* The Wimley-White hydrophobicity scales were added thanks to Alexander Komin suggestion +**Peptides v.2.2** + +* The Wimley-White hydrophobicity scales were added thanks to Alexander Komin suggestion. WW scales can be used as: +1. **interfaceScale_pH2:** White, Stephen (2006-06-29). "Experimentally Determined Hydrophobicity Scales". University of California, Irvine. Retrieved 2017-05-25 +2. **interfaceScale_pH8:** White, Stephen (2006-06-29). "Experimentally Determined Hydrophobicity Scales". University of California, Irvine. Retrieved 2017-05-25 +3. **octanolScale_pH2:** White, Stephen (2006-06-29). "Experimentally Determined Hydrophobicity Scales". University of California, Irvine. Retrieved 2017-05-25 +4. **octanolScale_pH8:** White, Stephen (2006-06-29). "Experimentally Determined Hydrophobicity Scales". University of California, Irvine. Retrieved 2017-05-25 +5. **oiScale_pH2:** White, Stephen (2006-06-29). "Experimentally Determined Hydrophobicity Scales". University of California, Irvine. Retrieved 2017-05-25 +6. **oiScale_pH8:** White, Stephen (2006-06-29). "Experimentally Determined Hydrophobicity Scales". University of California, Irvine. Retrieved 2017-05-25 + **Peptides v.2.1** + * The charge and pI functions were rewritten in C++ and an optimization approach was used thanks to Scott McCain (@jspmccain) and Timothée Poisot (@tpoisot) suggestion. * An error in zScales function data was solved. Q and E values were wrongly interchanged in v 2.0. diff --git a/tests/testthat/test.aacheck.R b/tests/testthat/test.aacheck.R new file mode 100644 index 0000000..e00b398 --- /dev/null +++ b/tests/testthat/test.aacheck.R @@ -0,0 +1,5 @@ +# NON STANDARD AMINO ACIDS PRESENT + +test_that("Non standard aminoacids present in sequence",{expect_warning( + aaCheck("KLRSTZMZ") +)})