Comparing version 2.1.6 to 3.0.0
{ | ||
"name": "chemcalc", | ||
"version": "2.1.6", | ||
"version": "3.0.0", | ||
"description": "Analyse molecular formula", | ||
@@ -5,0 +5,0 @@ "main": "dist/chemcalc.js", |
@@ -112,28 +112,4 @@ # chemcalc-js | ||
#### convertAASequence(sequence) | ||
All the methods has been moved to chemcalc-extented. | ||
Returns a peptidic sequence from a PDB or one letter code to the internal molecular formula format | ||
__Arguments__ | ||
* `sequence` - string with the amino acids sequence | ||
#### chargePeptide(mf) | ||
Add a positive charge on Arg, His and Lys | ||
__Arguments__ | ||
* `mf` - string with a molecular formula to charge | ||
#### generatePeptideFragments(mf, [options]) | ||
Generate [peptide fragmentation](http://en.wikipedia.org/wiki/Peptide_sequence_tag). | ||
Returns an array of molecular formulas with the different fragments. | ||
__Arguments__ | ||
* `mf` - string with the molecular formula | ||
* `options` - object with requested fragments. Default: `{a:false, b:true, c:false, x:false, y:true, z:false, i:false}` | ||
## Development | ||
@@ -140,0 +116,0 @@ |
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