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Peptides v. 2.2
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The Wimley-White hydrophobicity scales were added thanks to Alexander Komin [email protected] suggestion
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dosorio authored Jun 5, 2017
2 parents 8072fd6 + adf97f5 commit d9c4668
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2 changes: 1 addition & 1 deletion DESCRIPTION
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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="[email protected]",role=c("aut","cre")),
person("Paola","Rondon-Villarreal",role=c("aut","ths")),
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13 changes: 11 additions & 2 deletions NEWS.md
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NEWS
====
**Peptides v.2.1**
* The Wimley-White hydrophobicity scales were added thanks to Alexander Komin <[email protected]> suggestion
**Peptides v.2.2**

* The Wimley-White hydrophobicity scales were added thanks to Alexander Komin <[email protected]> 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.
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5 changes: 5 additions & 0 deletions tests/testthat/test.aacheck.R
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# NON STANDARD AMINO ACIDS PRESENT

test_that("Non standard aminoacids present in sequence",{expect_warning(
aaCheck("KLRSTZMZ")
)})

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