dejunchem 发表于 2013-1-6 09:09:30

Drugster: a comprehensive and fully integrated drug design, lead and structur...

哈哈，大早上 大工-阿里巴巴 推荐一一款不错的药物设计平台----Drugster （ligbuilder, gromacs和dock的GUI），跟大家分享，软件是开源的。

Drugster is a fully interactive pipeline designed to break the command line barrier and introduce a new user-friendly environment to perform drug design, lead and structure optimization experiments through an efficient combination of the PDB2PQR, Ligbuilder, Gromacs and Dock suites. Our platform features a novel workflow that guides the user through each logical step of the iterative 3D structural optimization setup and drug design process, by providing a seamless interface to all incorporated packages.

Availability: Drugster can be freely downloaded via our dedicated server system at http://www.bioacademy.gr/bioinformatics/drugster/Home.html

全文：附件!

感谢阿里！！


大工-阿里巴巴 发表于 2013-1-6 10:10:48

这个软件包看起来很不错呢~大家以后可以尝试着交流一下使用心得

xufund 发表于 2013-1-6 21:37:45

谢谢各位推荐。下来试试。希望以后多交流

川大-灰太狼 发表于 2013-1-7 08:44:21

非常好的软件包，支持！

xufund 发表于 2013-1-7 21:51:26

求救！
在scientific linux中安装（已安装perl和perl-tk)
但在安装中出现以下错误提示：
Package perl-Tk-804.028-11.el6.x86_64 already installed and latest version
Done

Starting Graphical Installation Interface...
Can't locate Tk/DirSelect.pm in @INC (@INC contains: /usr/local/lib64/perl5 /usr/local/share/perl5 /usr/lib64/perl5/vendor_perl /usr/share/perl5/vendor_perl /usr/lib64/perl5 /usr/share/perl5 .) at ./setup.pl line 12.
BEGIN failed--compilation aborted at ./setup.pl line 12.
Done

请高手指点。谢谢

dejunchem 发表于 2013-1-8 10:31:47

xufund 发表于 2013-1-7 21:51 static/image/common/back.gif
求救！
在scientific linux中安装（已安装perl和perl-tk)
但在安装中出现以下错误提示：


我也还没安装上，哈哈，及时交流

xufund 发表于 2013-1-8 21:30:47

另外在安装时，也没有像说明里那样启动图形安装界面，不知缺少哪个软件包。希望高手指点
页: [1]
查看完整版本: Drugster: a comprehensive and fully integrated drug design, lead and structur...