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peptide - npm Package Compare versions

Comparing version 1.4.0 to 1.4.1

2

bower.json
{
"name": "peptide",
"version": "1.4.0",
"version": "1.4.1",
"description": "Peptide",

@@ -5,0 +5,0 @@ "keywords": [

{
"name": "peptide",
"version": "1.4.0",
"version": "1.4.1",
"description": "Peptide",

@@ -5,0 +5,0 @@ "keywords": [

@@ -29,12 +29,13 @@ # peptide

Charge the peptide at a specific pH
Charge the peptide at a specific pH. 'mf' is either a 3 letter peptide sequence or an array of peptide sequences.
options:
* pH : you may specify the pH to calculate the protonation state. By default: 0,
it has the consequence to add a positive charge on Arg, His and Lys.
__Arguments__
* `mf` - string with a molecular formula to charge
* options:
* pH : you may specify the pH to calculate the protonation state. By default: 0,
it has the consequence to add a positive charge on Arg, His and Lys.
#### generatePeptideFragments(mf, [options])

@@ -41,0 +42,0 @@

@@ -29,7 +29,12 @@ 'use strict';

var from=0;
for (var i=0; i<fragments.length; i++) {
var nbResidue=splitSequence(fragments[i]).length;
fragments[i]={
sequence:fragments[i],
nbResidue:splitSequence(fragments[i]).length
nbResidue:nbResidue,
from:from+1,
to:from+nbResidue
}
from+=nbResidue;
}

@@ -46,6 +51,8 @@

fragment+=fragments[k].sequence;
nbResidue+=fragments[k].nbResidue
nbResidue+=fragments[k].nbResidue;
}
var from=fragments[i].from;
var to=fragments[i+j].to;
if (fragment && nbResidue>=options.minResidue && nbResidue<=options.maxResidue) {
results.push("H"+fragment+"OH");
results.push("H"+fragment+"OH"+"$D"+from+"-"+to);
}

@@ -52,0 +59,0 @@ }

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