Path: csiph.com!fu-berlin.de!uni-berlin.de!not-for-mail From: Oscar Benjamin Newsgroups: comp.lang.python Subject: Re: Computational Chemistry Analysis Date: Thu, 25 Feb 2016 15:31:54 +0000 Lines: 17 Message-ID: References: Mime-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: quoted-printable X-Trace: news.uni-berlin.de x+V/h7eKoTN2qN77sU2P6gTr6yOzmRE01hoBTuyh1lFA== Return-Path: X-Original-To: python-list@python.org Delivered-To: python-list@mail.python.org X-Spam-Status: OK 0.057 X-Spam-Evidence: '*H*': 0.89; '*S*': 0.00; 'scipy': 0.05; 'cc:addr :python-list': 0.09; 'python': 0.10; 'python.': 0.11; '2016': 0.16; 'binding.': 0.16; 'received:io': 0.16; 'received:psf.io': 0.16; 'wrote:': 0.16; 'student': 0.20; 'cc:2**0': 0.20; 'cc:addr:python.org': 0.20; 'to:2**1': 0.21; 'programming': 0.22; 'header:In-Reply-To:1': 0.24; 'script': 0.25; 'message- id:@mail.gmail.com': 0.27; 'specifically': 0.28; 'run': 0.33; 'similar': 0.33; 'lists': 0.34; 'received:google.com': 0.35; 'list:': 0.35; 'asking': 0.35; 'there': 0.36; 'url:org': 0.36; 'received:209.85': 0.36; '(i.e.': 0.36; 'subject:: ': 0.37; 'doing': 0.38; 'received:209': 0.38; 'programs': 0.62; 'studies': 0.63; 'binding': 0.66; 'drug': 0.72; 'programs,': 0.72; 'analysis': 0.72; 'hoping': 0.77; 'oscar': 0.84; 'url:scipy': 0.84; 'luck': 0.95 DKIM-Signature: v=1; a=rsa-sha256; c=relaxed/relaxed; d=gmail.com; s=20120113; h=mime-version:in-reply-to:references:from:date:message-id:subject:to :cc:content-type:content-transfer-encoding; bh=k+czlRmeBiRGpHwOqmaZeTkcyTfs74XbUWzTBnbqnJY=; b=Kd4rbnTaqq9FuqTC0MhwohmwaoCq7H2bKHk48q3KEgjIHX4uHUBvNlJdLZjZHPGcFW DcqcVJNI2UO9jcwJJsIVy2SFxp4Nr01NczhuVvLUZF7pFzaGm3QEg1x5qybanm3ZctJm gW5N40m0dj8hJBmDpqtXTqmZMlgDZ9YhtMoJ2PchE/2xzGvITBSTFB5x+iM8ON9kptIu idVV0AAhQSp5zNgcORjmTtbv0n4gFkMC8h0R2LWav7knJ3z9fH2G1+GZVhWkWy5yb+1m KCb9e6+lpgG8f7UBeDaidAHoCUM/xdWOI6T5ihOywqr/HxW0FqFJnlTB93lYbdj9l923 +2dw== X-Google-DKIM-Signature: v=1; a=rsa-sha256; c=relaxed/relaxed; d=1e100.net; s=20130820; h=x-gm-message-state:mime-version:in-reply-to:references:from:date :message-id:subject:to:cc:content-type:content-transfer-encoding; bh=k+czlRmeBiRGpHwOqmaZeTkcyTfs74XbUWzTBnbqnJY=; b=ZF4DasmCbTQceaioByKkax8H6xdO582hPWgGm1OEc7aCaPdKkbKFfNE8qT5m/xFbAZ shLQ4f7G6Ly23WWDhUoe7mluVpoPirTxxyA4yZDs6YNf6OjJvulyCEt/XOa0Aq1NLaha ngd2RCt1grRi1/q2KLAJbAaWt6Clm2uEJvYJ7gwH+H33wKUGtlUHfDFpx0QOEtWkmpjq /2pAOODUB61u/KH6uZsCLJBB8SWoYbbBlIvpKlRpd9b+8PkY8ELYsg+waAuzVve7o0GU EeriZkMDSdEzYCXb8pDgR0QiSEBRckB3Gk+BfqQO3gJenw5p9pUwyTC2isQfRmm5FI+k nJTw== X-Gm-Message-State: AG10YORjCtAprfnBM1lpwuB1HbGXmlygycfxD3w7juMqPKuBvvb3IMvvE8A3J8emqE0s9BWRv5lTc6YOHuC9SA== X-Received: by 10.112.135.39 with SMTP id pp7mr13559354lbb.43.1456414334058; Thu, 25 Feb 2016 07:32:14 -0800 (PST) In-Reply-To: X-BeenThere: python-list@python.org X-Mailman-Version: 2.1.21rc2 Precedence: list List-Id: General discussion list for the Python programming language List-Unsubscribe: , List-Archive: List-Post: List-Help: List-Subscribe: , Xref: csiph.com comp.lang.python:103502 On 25 February 2016 at 01:01, Feagans, Mandy wrote: > Hi! I am a student interested in conducting computational analysis of pro= tein-ligand binding for drug development analysis. Recently, I read of an i= ndividual using a python program for their studies of protein-ligand bindin= g. As I have been reading about Python programs, however, all I have been a= ble to find are programs that use the python script (i.e. Autodock). I was = hoping to see if there were any programs specifically run through the pytho= n programming that ran similar analysis to Autodock? You may have better luck asking on the scipy user list: http://www.scipy.org/scipylib/mailing-lists.html Those lists are specifically for people doing scientific work with Python. -- Oscar