Path: csiph.com!fu-berlin.de!uni-berlin.de!not-for-mail From: Mark Lawrence Newsgroups: comp.lang.python Subject: Re: Computational Chemistry Analysis Date: Thu, 25 Feb 2016 13:13:56 +0000 Lines: 20 Message-ID: References: Mime-Version: 1.0 Content-Type: text/plain; charset=windows-1252; format=flowed Content-Transfer-Encoding: 7bit X-Trace: news.uni-berlin.de 4pmOy6nXX5LJaCSwr7UNWwESNnoUkNddxLcsorj3fCLw== Return-Path: X-Original-To: python-list@python.org Delivered-To: python-list@mail.python.org X-Spam-Status: OK 0.014 X-Spam-Evidence: '*H*': 0.97; '*S*': 0.00; 'python,': 0.02; 'from:addr:yahoo.co.uk': 0.05; 'received:80.91': 0.09; 'received:80.91.229': 0.09; 'received:gmane.org': 0.09; 'received:list': 0.09; 'python': 0.10; 'binding.': 0.16; 'received:80.91.229.3': 0.16; 'received:io': 0.16; 'received:plane.gmane.org': 0.16; 'received:psf.io': 0.16; 'wrote:': 0.16; 'language': 0.19; 'student': 0.20; 'lawrence': 0.22; 'programming': 0.22; 'header:In-Reply-To:1': 0.24; 'script': 0.25; 'header:User-Agent:1': 0.26; 'header:X-Complaints-To:1': 0.26; 'specifically': 0.28; 'url:wiki': 0.30; 'guess': 0.31; 'language.': 0.32; 'run': 0.33; "i'll": 0.33; 'similar': 0.33; 'there': 0.36; 'url:org': 0.36; '(i.e.': 0.36; 'to:addr:python- list': 0.36; 'subject:: ': 0.37; 'received:org': 0.37; 'thank': 0.38; 'to:addr:python.org': 0.40; 'mark': 0.40; 'programs': 0.62; 'charset:windows-1252': 0.62; 'studies': 0.63; 'our': 0.64; 'binding': 0.66; 'here': 0.66; 'dear': 0.67; 'drug': 0.72; 'programs,': 0.72; 'analysis': 0.72; 'hoping': 0.77; 'pythonistas,': 0.84 X-Injected-Via-Gmane: http://gmane.org/ X-Gmane-NNTP-Posting-Host: 80.234.182.166 User-Agent: Mozilla/5.0 (Windows NT 10.0; WOW64; rv:38.0) Gecko/20100101 Thunderbird/38.6.0 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:103494 On 25/02/2016 01:01, Feagans, Mandy wrote: > Dear Python, > > 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? > > Thank you for any assistance you may be able to provide! > > Thank you, > > Mandy Feagans > I'll guess that you start here http://biopython.org/wiki/Main_Page -- My fellow Pythonistas, ask not what our language can do for you, ask what you can do for our language. Mark Lawrence