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chemcalc

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chemcalc - npm Package Compare versions

Comparing version 2.1.6 to 3.0.0

.npmignore

2

package.json
{
"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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