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Martini Coarse-Graining Workshop 2017
袁曙光 2017-4-26 22:12
Where : University of Groningen, Groningen, The Netherlands: http://www.rug.nl/staff/location/5161 http://www.rug.nl/fse/organization/locaties http://www.zernikecampusgroningen.nl/download-plattegrond When : August 20-25, 2017. The workshop starts Sunday, August 20, 20:00 hou ...
个人分类: Linux相关|1833 次阅读|没有评论
Implementing WebGL and HTML5 in visualziation and CADD
袁曙光 2017-4-16 21:47
Web browsers have long been recognized as potential platforms for remote macromolecule visualization. However, the difficulty in transferring large-scale data to clients and the lack of native support for hardware-accelerated applications in the local browser undermine the feasibility ...
1468 次阅读|没有评论
All biology is computational biology
袁曙光 2017-3-15 15:29
by Florian Markowetz PLOS Biology Published: March 9, 2017 http://dx.doi.org/10.1371/journal.pbio.2002050 Abstract Here, I argue that computational thinking and techniques are so central to the quest of understanding life that today all biology is computational biology. Computational bio ...
1806 次阅读|没有评论
EasyHybrid, a QM/MM interface for PyMOL
袁曙光 2017-3-15 02:02
The QM/MM calculation is very tedious because of difficulties in defining QM/MM region. EasyHybrid - GTKDynamo is free/open source software which, together with pDynamo, transforms PyMOL into a powerful interface for molecular modeling. The interface has been designed to ...
2595 次阅读|没有评论
A free QM/MM tutorial course
袁曙光 2017-3-10 05:50
Hybrid Quantum Mechanics / Molecular Mechanics (QM/MM) Approaches to Biochemistry and Beyond May 15, 2017 to May 19, 2017 location : CECAM-HQ-EPFL, Lausanne, Switzerland registeration: https://www.cecam.org/workshop-0-1477.html Day 1 - May, 15th 2017 Opening. Introduction to Q ...
2489 次阅读|没有评论
PyMOL 1.8.6 released
袁曙光 2017-3-10 05:36
Source Code: https://sourceforge.net/projects/pymol PyMol sponsors using SUSE Linux or openSUSE can download the CenOS version from: http://pymol.org/download libpng15.so.x needed to be installed, and it can be obtained from here . Tips for NVIDIA Optimus card: The new ...
2237 次阅读|没有评论
generating MP4 files supporting HTML5 preview
袁曙光 2017-2-22 22:41
Making a movie to show the simulation results has became a more and more popular task in computational structural biology. However, the raw movies generated by many tools, including VMD, ffmpeg or mencode, do not support playing .mp4 files in a Web browser. This is mainly because these tools ...
个人分类: Linux相关|1479 次阅读|没有评论
Basel Computational Biology Conference 2017
袁曙光 2017-1-19 16:19
The 13th 2 - the Basel Computational Biology Conference - is the key computational biology event in Switzerland in 2017 uniting scientists working in a broad range of disciplines, including bioinformatics, computational biology, biology, medicine, and systems biology. 2 will take place ...
1919 次阅读|没有评论
Using PyMOL as a platform for computational drug design
袁曙光 2017-1-7 04:34
Computational Molecular Science, 2017, doi: 10.1002/wcms.1298 full text PyMOL, a cross-platform molecular graphics tool, has been widely used for three-dimensional (3D) visualization of proteins, nucleic acids, small molecules, electron densities, surfaces, and trajectories. It ...
2388 次阅读|没有评论
Merry Christmas and Happy New Year 2016-2017
袁曙光 2016-12-19 18:22
1499 次阅读|没有评论

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