The Computational Chemistry List (CCL)
来源:互联网 发布:武汉程序员工资 编辑:程序博客网 时间:2024/05/16 14:19
http://www.ccl.net/
The Computational Chemistry List (CCL) was established on January 11, 1991, as an independent electronic forum for chemistry researchers and educators from around the world. If you want it to continue, please support it with your participation in discussions, contributing files to the CCL archives, use of its paid services and becoming its supporting member.
It is estimated that more than 3000 members in more than 50 countries are reading CCL messages regularly. Normally, the traffic does not exceed 20 messages a day. You can examine all past messages.
The discussions cover all aspects of computational chemistry; however, before posting, contributors are asked to read the instructions and regulations. Please SUPPORT CCL to ensure its continuing service to the community.
If you have problems sending mail to the list of subscribers or to CCL administrators, please use the
Remembering Charlie Bender, 1940 - 2007
CHECK IT OUT!!!
- Simple HF calculation (STO-3G) with only s orbitals for molecule HeH+
- http://www.ccl.net/cca/data/parm_at_Frosst/ -- An Informal AMBER Small Molecule Force Field: parm@Frosst for biomolecules (enzymes, DNA, peptides, etc.) in the presence of complex organic molecules such as inhibitor and cofactors.
- Silicos NV ports proprietary software into open source domain.
- 2nd Edition of Prof. Lewars' Computational Chemistry scheduled for November 2010!
- Collection of Papers and Slides on liquid crystals, organometallic compounds, silanes, silicones, platinum catalysts, organophosphines, homogeneous, heterogeneous catalysts, insulating glass sealants and Grignard reagents by Prof. John H. MacMillan from Temple University.
- Gaussian Frequency Visualizer in Python
- NEWLEAD for Windows is now available
- input4bsse.py -- a python script that will generate the necessary input files for BSSE correction calculations.
- Original ZINDO manual -- manual pieces of the ZINDO manual circa 1996 and 1997
- ClearCase (software for revision control) terms demistified
- STERIMOL program (QCPE Program Number: QCMP093) available on CCL: http://www.ccl.net/cca/software/SOURCES/FORTRAN/STERIMOL/
- Version 2008.10 of Molecular Operating Environment (MOE) has been released: Read Press Release for more information.
- New Book by Errol G Lewars: Modeling Marvels -- Computational Anticipation of Novel Molecules with Springer.
- ASDN.NET: Contribute to public education and advertise your research: http://asdn.net
- Alejandro Pisanty blog for Spanish speaking community on Science and Education (in Spanish): http://pisanty.blogspot.com/
- OMEGA MULTI-CONFORMER DATABASES NOW COMPATIBLE WITH MOE
( html, pdf ) - Five $1,150 CCG Excellence Student Travel Award Stipends Available for the Fall 2008 Philadelphia ACS National Meeting -- http://www.ccl.net/cca/info/excellence_student_travel_award.shtml
- The HP Outstanding Junior Faculty Award: http://www.ccl.net/cca/info/junior_faculty_award.shtml
- Two papers added to CCL Document Archives: Protonate 3D: Assignment of Macromolecular Protonation State and Geometry by Paul Labute and Ligand Scaffold Replacement using MOE Pharmacophore Tools by Alain Deschênes and Elizabeth Sourial. Please find them at: http://www.ccl.net/chemistry/resources/overview/
- Eguations (with ready to cut/paste source of forumulae in different formats), constants, units, conversions, etc. at: http://equplus.net.
- sendmail, spamassassin and greylisting with relaydelay under Fedora Core 6 (FC6) -- http://www.ccl.net/cca/software/UNIX/sendmail/
- Edutainment with Apache mod_perl2 on Fedora Core 6 (FC6) http://www.ccl.net/cca/software/PERL/mod_perl
- New book: Nanotechnology for Electronic Materials and Devices is out!
- Installing Java 6 on Fedora 7 (F7). Also links to FC5 and FC6.
- NEWLEAD for LINUX and Mac OSX -- automatic generation of candidate structures for a given pharmacophore model
- MMCC Results Newsletter -- literature survey of papers in molecular modeling and computational chemistry
- Upload Your Good Stuff to CCL Archives and share: Learn More and Upload Now.
- Support CCL. A new range of services provide you with new opportunities to Support CCL: http://www.ccl.net/aboutccl/supporting.
- Prescreen your CCL Messages with regular expressions: http://www.ccl.net/chemistry/resources/tips/filter.shtml.
- Practice Perl Regular Expressions at: http://www.ccl.net/cgi-bin/ccl/regexp/test_re.pl but go through tutorial http://www.ccl.net/chemistry/resources/tips/regular_expressions.shtml first, if you do not know perl.
- New Web Subscription and Unsubscription Pages
- Job Advertising is now a paid service of CCL. See Positions offered Page for details. Please read Detailed Instructions on how to post your job opening announcement via Web Interface within minutes.
- Greylisting to fight spam http://www.ccl.net/cca/software/UNIX/greylisting/README.shtml
- Muonium Database http://mbaza.mm.com.pl
- Chemical Topics by Dave Young -- a collection of excellent overviews on important computational chemistry topics.
- MMFF94s Validation Suite now including planar trigonal nitrogen
- Force-field Evaluation Suite
- MMFF94 Validation Suite
- The Computational Chemistry List (CCL)
- Virtual Computational Chemistry Laboratory
- The Computational Graph
- Chemistry
- CCL 2015
- Talking about the Computational Future at SXSW 2013
- Computational Thinking
- Computational Thinking
- Computational Reflection
- Computational Neuroscience
- Computational Geometry
- The List
- The chemistry of a resource that provides much of the water we use
- 在ccl中使用中文
- Chemistry Journals
- 寻书: Handbook of Stochastic Methods: For Physics, Chemistry and the Natural Sciences
- 每日一佳——Computational Rationalization: The Inverse Equilibrium Problem(Kevin Waugh et al. ,ICML ,2011)
- CCL MYCCL Multiccl定位的原理
- adb remount 失败remount failed: Operation not permitted
- 一个示例让你明白适配器模式
- 【九度】题目1120:全排列 && 题目1369:字符串的排列
- java保留小数有效位数
- Android应用的优化
- The Computational Chemistry List (CCL)
- 黑马程序员—类加载器和注解
- hadoop安装(zhuan)
- java中static的使用
- EditText 获取焦点时 输入法弹出 点击EditText以外的部分 输入法隐藏
- 从零开始--为面试做准备,代码篇(一)
- Virtual Computational Chemistry Laboratory
- RIL及其问题
- 盗版XP成主要恶意攻击对象