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ganchao1776

至尊木虫 (职业作家)

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专业: 生物大分子结构与功能

[交流] 介绍一个查看蛋白质三维结构的好软件

软件的名称是pymol，在百渡上搜一下就能找到下载的地方，我当初就是这么下载一下来，有10多M大小，传不上来，实在不好意思！！

该软件是用来观看pdb格式的不错软件，可以提供多种模式观看蛋白质三维结构，有幸趣的可以下下来试一下，对搞蛋白分子改造研究的非常有用，如果你要写蛋白分子改造方面的论文，它会使你的文章增光不少！！

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yalefield

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Warren L. DeLano在O'Reilly会议的讲话 [转]

O'Reilly是世界上著名的信息产业与开源软件、书籍出版商。
Warren L. DeLano作为Sunesis Pharmaceuticals的代表，在O'Reilly主办的生物信息学技术会议上讲话：“开放性的生物药学计算环境”

O'Reilly Bioinformatics Technology Conference
January 28-31, 2002 -- Tucson, AZ
--------------------------------------------------------------------------------
Session
PyMOL & FreeMOL: Leveraging Molecular Visualization to Create an Open Biopharmaceutical Computing Environment
Warren L. DeLano, Informatics Scientist, Sunesis Pharmaceuticals

Track: Bioinformatics.org
Date: Wednesday, January 30
Time: 3:00pm - 3:45pm
Location: Canyon III

While many essential computational tasks in drug discovery can now be accomplished with free or open-source components, there is currently no context where such components might be effortlessly combined to carry out complex multi-step procedures in molecular modeling and informatics. The FreeMOL project aims to establish this context by implementing a minimal set of common assumptions that will nucleate the world's first open-source molecular operating environment for drug-discovery.
The open-source, anchoring visualization component, molecular graphics program PyMOL will be used to catalyze the creation of FreeMOL, while FreeMOL components are integrated. However, since FreeMOL is merely a set of assumptions held together with dynamic scripting languages like Python and Perl, PyMOL will eventually be just another interchangeable component in the FreeMOL suite of interoperable tools.

When complete, FreeMOL will contain capabilities comparable to commercial software suites, including molecular visualization, drawing, clean up, energy minimization, dynamics, searching, storage, enumeration, docking, electrostatics, sequence alignment, homology modeling, and so forth. Plus, FreeMOL will serve as an open conduit for integrating diverse commercial software packages, thus eliminating the need for the many redundant integrative development efforts currently ongoing throughout the industry.

As an open-source alternative to commercial software suites, FreeMOL will benefit research in academia and industry by greatly increasing the amount of computational Science, which can be done with minimal expense. Also, by providing competition to commercial packages, FreeMOL will bring about a decrease in price and an increase in the quality of commercial tools.