Path: csiph.com!fu-berlin.de!uni-berlin.de!not-for-mail From: "Feagans, Mandy" Newsgroups: comp.lang.python Subject: Computational Chemistry Analysis Date: Thu, 25 Feb 2016 01:01:09 +0000 Lines: 18 Message-ID: Mime-Version: 1.0 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable X-Trace: news.uni-berlin.de hGxSyNGdPpuleZnaUmRjOwgSk1n8oj7Wk9oErK+tMa4g== Return-Path: X-Original-To: python-list@python.org Delivered-To: python-list@mail.python.org X-Spam-Status: OK 0.077 X-Spam-Evidence: '*H*': 0.85; '*S*': 0.00; 'python,': 0.02; 'python': 0.10; 'binding.': 0.16; 'received:exchangelabs.com': 0.16; 'received:io': 0.16; 'received:prod.exchangelabs.com': 0.16; 'received:psf.io': 0.16; 'student': 0.20; 'to:name:python- list@python.org': 0.20; 'programming': 0.22; 'script': 0.25; 'specifically': 0.28; 'received:169.254': 0.28; 'received:169': 0.32; 'run': 0.33; 'similar': 0.33; 'there': 0.36; '(i.e.': 0.36; 'to:addr:python-list': 0.36; 'received:10': 0.37; 'thank': 0.38; 'to:addr:python.org': 0.40; 'programs': 0.62; 'studies': 0.63; 'binding': 0.66; 'dear': 0.67; 'drug': 0.72; 'programs,': 0.72; 'analysis': 0.72; 'hoping': 0.77; 'received:10.242': 0.84 DKIM-Signature: v=1; a=rsa-sha256; c=relaxed/relaxed; d=ueliveevansville.onmicrosoft.com; s=selector1-evansville-edu; h=From:To:Date:Subject:Message-ID:Content-Type:MIME-Version; bh=kdNw4M9chj49CFcEkyuGhOYx8Iizr92P9NFPvse//Sg=; b=NnGYttG+GbiNUbmqPDVGRNya0x7AZKASzv2TmOiDNkr0eIJTm59WcwBj1/p73NB9bJQGzqUKceLN2Uxm6nw5gr4SkDIeZfNd6UnJxbaoPgA3VaTRA5Hd0MJloKHah1ujC1PO72Kgr+tqR4f7ht49ogqRpgiDJAq9CYWo9sulI5Q= Thread-Topic: Computational Chemistry Analysis Thread-Index: AQHRb2WbjutPaEYGFkCNKeVK3Hh21Q== Accept-Language: en-US Content-Language: en-US X-MS-Has-Attach: X-MS-TNEF-Correlator: authentication-results: python.org; dkim=none (message not signed) header.d=none;python.org; dmarc=none action=none header.from=evansville.edu; x-originating-ip: [192.195.230.108] x-microsoft-exchange-diagnostics: 1; CO1PR01MB094; 5:1Q5Laat2IU8FPoD8Of/kiW+qHowuvvt3rMX6gXLC8neYkryg+eYRA0XQbYWioCbmbcaaIY8z3vWDIUXOYhX6RRWKeZ+wwzkajJiVuqqf4nrZ4twjr+qf9ClRCmZUPuLNLY97rXPJmI9Bj7MLVaEGJw==; 24:IDOnRGPS1BSz1RV1y1eY424aRfyAUviJNrsp5VczU4+mJVT27b3hcGFYjB9LtRd2KEVEwopspqchNljB4Op5rOp5mX0zLWJYZq4ywOAKtRg= x-microsoft-antispam: UriScan:;BCL:0;PCL:0;RULEID:;SRVR:CO1PR01MB094; x-ms-office365-filtering-correlation-id: 8076833d-5bf1-4a01-225d-08d33d7f264b x-microsoft-antispam-prvs: x-exchange-antispam-report-test: UriScan:; x-exchange-antispam-report-cfa-test: BCL:0; PCL:0; RULEID:(2401047)(5005006)(8121501046)(3002001)(10201501046); SRVR:CO1PR01MB094; BCL:0; PCL:0; RULEID:; SRVR:CO1PR01MB094; x-forefront-prvs: 08635C03D4 x-forefront-antispam-report: SFV:NSPM; SFS:(10019020)(6009001)(5003600100002)(19625215002)(102836003)(50986999)(87936001)(3846002)(106116001)(5001960100002)(189998001)(11100500001)(54356999)(110136002)(1220700001)(107886002)(345774005)(5002640100001)(66066001)(19627405001)(5008740100001)(90282001)(2906002)(586003)(1096002)(88552002)(16236675004)(74316001)(3280700002)(6116002)(3660700001)(10400500002)(5004730100002)(75432002)(92566002)(2351001)(229853001)(122556002)(40100003)(2900100001)(33656002)(86362001)(3480700003)(450100001)(89122001); DIR:OUT; SFP:1102; SCL:1; SRVR:CO1PR01MB094; H:CO1PR01MB094.prod.exchangelabs.com; FPR:; SPF:None; MLV:sfv; LANG:en; spamdiagnosticoutput: 1:23 spamdiagnosticmetadata: NSPM X-OriginatorOrg: evansville.edu X-MS-Exchange-CrossTenant-originalarrivaltime: 25 Feb 2016 01:01:09.7759 (UTC) X-MS-Exchange-CrossTenant-fromentityheader: Hosted X-MS-Exchange-CrossTenant-id: a7d57d32-caf7-498d-a18f-e429f8df1f68 X-MS-Exchange-Transport-CrossTenantHeadersStamped: CO1PR01MB094 X-Mailman-Approved-At: Thu, 25 Feb 2016 08:03:22 -0500 X-Content-Filtered-By: Mailman/MimeDel 2.1.21rc2 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:103493 Dear Python, Hi! I am a student interested in conducting computational analysis of prote= in-ligand binding for drug development analysis. Recently, I read of an ind= ividual using a python program for their studies of protein-ligand binding.= As I have been reading about Python programs, however, all I have been abl= e to find are programs that use the python script (i.e. Autodock). I was ho= ping to see if there were any programs specifically run through the python = programming that ran similar analysis to Autodock? Thank you for any assistance you may be able to provide! Thank you, Mandy Feagans