{ "info": { "author": "Alisue", "author_email": "lambdalisue@hashnote.net", "bugtrack_url": null, "classifiers": [ "Development Status :: 3 - Alpha", "Intended Audience :: Developers", "License :: OSI Approved :: MIT License", "Programming Language :: Python", "Programming Language :: Python :: 2.6", "Programming Language :: Python :: 2.7" ], "description": "txt2contincd\n==========================\n.. image:: https://secure.travis-ci.org/lambdalisue/txt2contincd.png?branch=master\n :target: http://travis-ci.org/lambdalisue/txt2contincd\n :alt: Build status\n\n.. image:: https://coveralls.io/repos/lambdalisue/txt2contincd/badge.png?branch=master\n :target: https://coveralls.io/r/lambdalisue/txt2contincd/\n :alt: Coverage\n\n.. image:: https://pypip.in/d/txt2contincd/badge.png\n :target: https://pypi.python.org/pypi/txt2contincd/\n :alt: Downloads\n\n.. image:: https://pypip.in/v/txt2contincd/badge.png\n :target: https://pypi.python.org/pypi/txt2contincd/\n :alt: Latest version\n\n.. image:: https://pypip.in/wheel/txt2contincd/badge.png\n :target: https://pypi.python.org/pypi/txt2contincd/\n :alt: Wheel Status\n\n.. image:: https://pypip.in/egg/txt2contincd/badge.png\n :target: https://pypi.python.org/pypi/txt2contincd/\n :alt: Egg Status\n\n.. image:: https://pypip.in/license/txt2contincd/badge.png\n :target: https://pypi.python.org/pypi/txt2contincd/\n :alt: License\n\ntxt2contincd convert raw text data files into a\n`CONTIN-CD `_ input file.\nIt use `maidenhair `_ for reading raw\ntext files so any kind of raw text file can be used if there is a maidenhair\nplugins.\n\nInstallation\n------------\nUse pip_ like::\n\n $ pip install txt2contincd\n\n.. _pip: https://pypi.python.org/pypi/pip\n\nQuick Usage\n-------------\nAssume that you have measured the far-UV CD spectrum with the following condition::\n\n The number of residues (amino acids): 260 aa\n The molecular weight of the protein: 29.07 kDa\n The concentration of the protein: 0.303 mg/mL\n The length of the light pathway: 0.1 cm\n\nThen run *txt2contincd* with\n\n % txt2contincd -n 260 -m 29.07 -c 0.303 -L 0.1 \n\nIt will produce ``contin-cd.in`` file.\n\nUsage\n------\n\n::\n\n usage: txt2contincd [-h] [-v] [-p PARSER] [-l LOADER] [-u USING] [-a] [-s]\n [-o OUTPUT] [-n NUMBER] [-m MOLECULAR_WEIGHT]\n [-c CONCENTRATION]\n [--molar-concentration MOLAR_CONCENTRATION] [-L LENGTH]\n pathname\n\n positional arguments:\n pathname An unix grob style filename pattern for the data files\n\n optional arguments:\n -h, --help show this help message and exit\n -v, --version show program's version number and exit\n\n Reading options:\n -p PARSER, --parser PARSER\n A maidenhair parser name which will be used to parse\n the raw text data.\n -l LOADER, --loader LOADER\n A maidenhair loader name which will be used to load\n the raw text data.\n -u USING, --using USING\n A colon (:) separated column indexes. It is used for\n limiting the reading columns.\n -a, --average Calculate the average value of the specified data.\n -s, --no-strict Do not strict the wavelength range into 190-240 .\n -o OUTPUT, --output OUTPUT\n A output filename. The default is \"contin-cd.in\".\n\n Experimental properties:\n -n NUMBER, --number NUMBER\n The number of residues (amino acids) in the sample.\n -m MOLECULAR_WEIGHT, --molecular-weight MOLECULAR_WEIGHT\n A molecular weight of the sample in kDa (=kg/mol).\n -c CONCENTRATION, --concentration CONCENTRATION\n A concentration of the sample in g/L. See --molar-\n concentration as an alternative.\n --molar-concentration MOLAR_CONCENTRATION\n A molar concentration of the sample in mol/L. It is\n used as an alternative option of --concentration.\n -L LENGTH, --length LENGTH\n A light pathway length (cuvette length) in centimeter\n\nPreference\n-----------\nYou can create configure file as ``~/.config/txt2contincd/txt2contincd.cfg`` (Linux),\n``~/.txt2contincd.cfg`` (Mac), or ``%APPDATA%\\txt2contincd\\txt2contincd.cfg`` (Windows).\n\nThe default preference is equal to the configure file as below::\n\n [default]\n parser = 'parsers.PlainParser'\n loader = 'loaders.PlainLoader'\n using = None\n average = False\n strict = True\n output = 'contin-cd.in'\n\n [experiment]\n number = None\n molecular_weight = None\n concentration = None\n molar_concentration = None\n length = None\n\nI don't use Microsoft Windows so the location of the configure file in Windows\nmight be wrong.\nLet me know if there are any mistakes.", "description_content_type": null, "docs_url": null, "download_url": "https://github.com/lambdalisue/txt2contincd/tarball/master", "downloads": { "last_day": -1, "last_month": -1, "last_week": -1 }, "home_page": "https://github.com/lambdalisue/txt2contincd", "keywords": "raw text data convert CONTINT", "license": "MIT", "maintainer": null, "maintainer_email": null, "name": "txt2contincd", "package_url": "https://pypi.org/project/txt2contincd/", "platform": "UNKNOWN", "project_url": "https://pypi.org/project/txt2contincd/", "project_urls": { "Download": "https://github.com/lambdalisue/txt2contincd/tarball/master", "Homepage": "https://github.com/lambdalisue/txt2contincd" }, "release_url": "https://pypi.org/project/txt2contincd/0.1.0/", "requires_dist": null, "requires_python": null, "summary": "Convert raw text data files into a CONTIN-CD input file.", "version": "0.1.0" }, "last_serial": 1087722, "releases": { "0.1.0": [ { "comment_text": "", "digests": { "md5": "735d37f5cc42a4350ace57c0da9b9549", "sha256": "c0f489841ff38237f1dacecc8f60357bbc8a7b6e43bb5f78d8cff0b43f39d6ef" }, "downloads": -1, "filename": "txt2contincd-0.1.0.tar.gz", "has_sig": false, "md5_digest": "735d37f5cc42a4350ace57c0da9b9549", "packagetype": "sdist", "python_version": "source", "requires_python": null, "size": 16333, "upload_time": "2014-05-10T07:54:13", "url": "https://files.pythonhosted.org/packages/c4/c9/3ed6082beb0cb1bf2fc2966d8d5313cc6aa10aac543caa4a467bef8bc901/txt2contincd-0.1.0.tar.gz" } ] }, "urls": [ { "comment_text": "", "digests": { "md5": "735d37f5cc42a4350ace57c0da9b9549", "sha256": "c0f489841ff38237f1dacecc8f60357bbc8a7b6e43bb5f78d8cff0b43f39d6ef" }, "downloads": -1, "filename": "txt2contincd-0.1.0.tar.gz", "has_sig": false, "md5_digest": "735d37f5cc42a4350ace57c0da9b9549", "packagetype": "sdist", "python_version": "source", "requires_python": null, "size": 16333, "upload_time": "2014-05-10T07:54:13", "url": "https://files.pythonhosted.org/packages/c4/c9/3ed6082beb0cb1bf2fc2966d8d5313cc6aa10aac543caa4a467bef8bc901/txt2contincd-0.1.0.tar.gz" } ] }