Updated the peptide package to use new biopython.

lewisamarshall · Oct 2, 2020 · 78d84a0 · 78d84a0
1 parent 374005f
commit 78d84a0
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Showing 2 changed files with 4 additions and 6 deletions.
diff --git a/ionize/PolyIon/Peptide.py b/ionize/PolyIon/Peptide.py
@@ -68,9 +68,7 @@ def charge(self, pH=None, ionic_strength=None, temperature=None,
             neg_pKs['Cterm'] = pKcterminal[cterm]
 
         charge = IsoelectricPoint(self.sequence,
-                                  amino_acid_count)._chargeR(pH,
-                                                             pos_pKs,
-                                                             neg_pKs)
+                                  amino_acid_count).charge_at_pH(pH)
         return charge**moment
 
     def isoelectric_point(self, ionic_strength=None, temperature=None):

diff --git a/requirements.txt b/requirements.txt
@@ -1,7 +1,7 @@
-pandas>=1.0.1
+pandas>=1.0.0
 pypandoc>=1.4
-numpy>=1.18.1
-scipy>=1.4.1
+numpy>=1.16.0
+scipy>=1.4.0
 Click>=7.0
 biopython>=0.0.6
 simplejson>=3.17.2