Comparing version 1.4.0 to 1.4.1
{ | ||
"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 @@ } |
New author
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Found 1 instance in 1 package
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