Comparing version 1.5.1 to 1.5.2
{ | ||
"name": "peptide", | ||
"version": "1.5.1", | ||
"version": "1.5.2", | ||
"description": "Peptide", | ||
@@ -5,0 +5,0 @@ "keywords": [ |
{ | ||
"name": "peptide", | ||
"version": "1.5.1", | ||
"version": "1.5.2", | ||
"description": "Peptide", | ||
@@ -5,0 +5,0 @@ "keywords": [ |
@@ -61,3 +61,3 @@ # peptide | ||
You can also specify internal fragments using the options 'ya' and 'yb' as well as the minimal length of internal fragments 'minInternal' | ||
You can also specify internal fragments using the options 'ya', 'yb', 'yc' and 'zc' as well as the minimal length of internal fragments 'minInternal' | ||
and the maximal length of internal fragments 'maxInternal' | ||
@@ -64,0 +64,0 @@ |
@@ -13,4 +13,6 @@ 'use strict'; | ||
i: false, | ||
ya: false, | ||
yb: false, | ||
ya: false | ||
yc: false, | ||
zc: false | ||
}; | ||
@@ -35,6 +37,6 @@ } | ||
if (options.ya || options.yb) { // we have double fragmentations | ||
if (options.ya || options.yb || options.yc || options.zc) { // we have double fragmentations | ||
for (var j=i+1; j<Math.min(mfparts.length,options.maxInternal+i+1);j++) { | ||
var iTerm=''; | ||
if ((j-i)>=options.minInternal){ | ||
if ((j-i)>=options.minInternal) { | ||
for (var k = i; k < j; k++) { | ||
@@ -49,3 +51,2 @@ iTerm += mfparts[k]; | ||
if (mfs.length === 0) { | ||
@@ -68,2 +69,4 @@ mfs = mfs.concat([mf]); | ||
if (options.yb) mfs.push("H"+iTerm+"(+1)$b"+j+"y"+i); | ||
if (options.yc) mfs.push("H"+iTerm+"NH3(+1)$c"+j+"y"+i); | ||
if (options.zc) mfs.push("N-1"+iTerm+"NH3(+1)$c"+j+"z"+i); | ||
} | ||
@@ -70,0 +73,0 @@ |
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