sci-chemistry / nmrglue

A module for working with NMR data in Python

Official package sites : http://nmrglue.com/ ·

Nmrglue has the ability to read, write and convert between a number of NMR file formats including Agilent/Varian, Bruker, NMRPipe, Sparky, SIMPSON, Rowland NMR Toolkit files. The files, which are represented in Python as dictionaries of spectral parameters and NumPy ndarray objects, can be easily examined, modified and processed as desired. Nmrglue provides a number of functions for processing NMR data such as apodization, spectral shifting, Fourier and other transformations, baseline smoothing and flattening, and linear prediction modeling and extrapolation. In addition new processing schemes can be implemented easily using the nmrglue provided functions and the multitude of numerical routines provided by the NumPy and SciPy packages. When used in conjunction with the matplotlib (or other) python plotting library nmrglue can be used to create publication quality figures of NMR spectrum or examine data interactively.

v0.5-r1 :: 0 :: gentoo

Modified
License
BSD
Keywords
~amd64 ~amd64-linux ~x86 ~x86-linux
USE flags
test

General

test
Enable dependencies and/or preparations necessary to run tests (usually controlled by FEATURES=test but can be toggled independently)

python_targets

python2_7
Build with Python 2.7
python3_5
Build with Python 3.5
python3_6
Build with Python 3.6

dev-lang / python : An interpreted, interactive, object-oriented programming language

dev-lang / python-exec : Python script wrapper

dev-python / matplotlib : Pure python plotting library with matlab like syntax

dev-python / nose : Unittest extension with automatic test suite discovery and easy test authoring

dev-python / numpy : Fast array and numerical python library

sci-libs / scipy : Scientific algorithms library for Python

dev-lang / python : An interpreted, interactive, object-oriented programming language

dev-lang / python-exec : Python script wrapper

dev-python / matplotlib : Pure python plotting library with matlab like syntax

dev-python / numpy : Fast array and numerical python library

sci-libs / scipy : Scientific algorithms library for Python

Repository mirror & CI · gentoo
Merge updates from master
Michał Górny · gentoo
*/*: Remove python3_4 PYTHON_COMPAT correctly
Signed-off-by: Michał Górny <mgorny@gentoo.org>
Pacho Ramos · gentoo
sci-chemistry/nmrglue: Support newer python
Package-Manager: Portage-2.3.6, Repoman-2.3.2
Robin H. Johnson · gentoo
Drop $Id$ per council decision in bug #611234.
Signed-off-by: Robin H. Johnson <robbat2@gentoo.org>
T. Malfatti · gentoo
media-libs/portaudio: Version bump
Michał Górny · gentoo
global: Drop dead implementations from PYTHON_COMPAT
Justin Lecher · gentoo
sci-chemistry/nmrglue: Drop unnecessary dependency and old version
Package-Manager: portage-2.2.20.1 Signed-off-by: Justin Lecher <jlec@gentoo.org>
Robin H. Johnson · gentoo
proj/gentoo: Initial commit
This commit represents a new era for Gentoo: Storing the gentoo-x86 tree in Git, as converted from CVS. This commit is the start of the NEW history. Any historical data is intended to be grafted onto this point. Creation process: 1. Take final CVS checkout snapshot 2. Remove ALL ChangeLog* files 3. Transform all Manifests to thin 4. Remove empty Manifests 5. Convert all stale $Header$/$Id$ CVS keywords to non-expanded Git $Id$ 5.1. Do not touch files with -kb/-ko keyword flags. Signed-off-by: Robin H. Johnson <robbat2@gentoo.org> X-Thanks: Alec Warner <antarus@gentoo.org> - did the GSoC 2006 migration tests X-Thanks: Robin H. Johnson <robbat2@gentoo.org> - infra guy, herding this project X-Thanks: Nguyen Thai Ngoc Duy <pclouds@gentoo.org> - Former Gentoo developer, wrote Git features for the migration X-Thanks: Brian Harring <ferringb@gentoo.org> - wrote much python to improve cvs2svn X-Thanks: Rich Freeman <rich0@gentoo.org> - validation scripts X-Thanks: Patrick Lauer <patrick@gentoo.org> - Gentoo dev, running new 2014 work in migration X-Thanks: Michał Górny <mgorny@gentoo.org> - scripts, QA, nagging X-Thanks: All of other Gentoo developers - many ideas and lots of paint on the bikeshed