Groups | Search | Server Info | Keyboard shortcuts | Login | Register [http] [https] [nntp] [nntps]
Groups > comp.lang.python > #103502
| Path | csiph.com!fu-berlin.de!uni-berlin.de!not-for-mail |
|---|---|
| From | Oscar Benjamin <oscar.j.benjamin@gmail.com> |
| Newsgroups | comp.lang.python |
| Subject | Re: Computational Chemistry Analysis |
| Date | Thu, 25 Feb 2016 15:31:54 +0000 |
| Lines | 17 |
| Message-ID | <mailman.127.1456414342.20994.python-list@python.org> (permalink) |
| References | <CO1PR01MB094174742E1C62A0016BA1D82A60@CO1PR01MB094.prod.exchangelabs.com> |
| 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 | <oscar.j.benjamin@gmail.com> |
| 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 | <CO1PR01MB094174742E1C62A0016BA1D82A60@CO1PR01MB094.prod.exchangelabs.com> |
| X-BeenThere | python-list@python.org |
| X-Mailman-Version | 2.1.21rc2 |
| Precedence | list |
| List-Id | General discussion list for the Python programming language <python-list.python.org> |
| List-Unsubscribe | <https://mail.python.org/mailman/options/python-list>, <mailto:python-list-request@python.org?subject=unsubscribe> |
| List-Archive | <http://mail.python.org/pipermail/python-list/> |
| List-Post | <mailto:python-list@python.org> |
| List-Help | <mailto:python-list-request@python.org?subject=help> |
| List-Subscribe | <https://mail.python.org/mailman/listinfo/python-list>, <mailto:python-list-request@python.org?subject=subscribe> |
| Xref | csiph.com comp.lang.python:103502 |
Show key headers only | View raw
On 25 February 2016 at 01:01, Feagans, Mandy <af154@evansville.edu> wrote: > Hi! I am a student interested in conducting computational analysis of protein-ligand binding for drug development analysis. Recently, I read of an individual using a python program for their studies of protein-ligand binding. As I have been reading about Python programs, however, all I have been able 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 python 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
Back to comp.lang.python | Previous | Next — Next in thread | Find similar | Unroll thread
Re: Computational Chemistry Analysis Oscar Benjamin <oscar.j.benjamin@gmail.com> - 2016-02-25 15:31 +0000 Re: Computational Chemistry Analysis Mike S <mscir@yahoo.com> - 2016-02-25 21:01 -0800
csiph-web