Comments for ChemHack http://chemhack.com Hacking the chemistry world. Thu, 11 Mar 2010 13:43:45 +0000 http://wordpress.org/?v=2.9.2 hourly 1 Comment on Dinner in Cambridge by MP5 http://chemhack.com/2010/03/cambridge/comment-page-1/#comment-339 MP5 Thu, 11 Mar 2010 13:43:45 +0000 http://chemhack.com/?p=331#comment-339 Congratulations~ 纵横上，你在英国 这个不要流量么？ Congratulations~

纵横上，你在英国

这个不要流量么？

]]> Comment on jsMolEditor preview 0.2 is available for download now. by Ernst-Georg Schmid http://chemhack.com/2009/02/jsmoleditor-preview-02-is-available-for-download-now/comment-page-1/#comment-275 Ernst-Georg Schmid Mon, 14 Dec 2009 11:35:59 +0000 http://chemhack.com/?p=234#comment-275 Yes, that was exactly what I was looking for. :-) regards, Ergo Yes, that was exactly what I was looking for. :-)

regards,

Ergo

]]> Comment on jsMolEditor preview 0.2 is available for download now. by Ernst-Georg Schmid http://chemhack.com/2009/02/jsmoleditor-preview-02-is-available-for-download-now/comment-page-1/#comment-270 Ernst-Georg Schmid Thu, 10 Dec 2009 09:40:16 +0000 http://chemhack.com/?p=234#comment-270 Hi, is MX-GWT available for download somewhere? I did find the downloads section on the Google Code page empty. Why do I ask? As I understand, MX has substructure matching capabilities via VF2 and I'd like to try combining this with this idea: http://www.igvita.com/2009/03/03/collaborative-map-reduce-in-the-browser/ But obviously I need a pure JS implementation of a substructure matcher for that. Just out of curiosity. :-) regards, Ergo Hi,

is MX-GWT available for download somewhere? I did find the downloads section on the Google Code page empty.

Why do I ask? As I understand, MX has substructure matching capabilities via VF2 and I’d like to try combining this with this idea: http://www.igvita.com/2009/03/03/collaborative-map-reduce-in-the-browser/

But obviously I need a pure JS implementation of a substructure matcher for that.

Just out of curiosity. :-)

regards,

Ergo

]]> Comment on About by 辉煌 http://chemhack.com/about/comment-page-1/#comment-257 辉煌 Sun, 29 Nov 2009 15:28:27 +0000 http://chemhack.com/?page_id=2#comment-257 拜访下兄弟，有兴趣做个友情链接吗？ 拜访下兄弟，有兴趣做个友情链接吗？

]]> Comment on About by Sam http://chemhack.com/about/comment-page-1/#comment-250 Sam Fri, 13 Nov 2009 21:51:22 +0000 http://chemhack.com/?page_id=2#comment-250 Great stuff. Drop me a line with a contact number. interested to speak with you Great stuff. Drop me a line with a contact number. interested to speak with you

]]> Comment on Does the CDK Fingeprint works? Something went wrong. by Dmitry Pavlov http://chemhack.com/2009/03/does-the-cdk-fingeprint-works-something-went-wrong/comment-page-1/#comment-248 Dmitry Pavlov Wed, 04 Nov 2009 22:25:26 +0000 http://chemhack.com/?p=282#comment-248 Hello Duan, My name is Dmitry Pavlov. I work for SciTouch LLC. Recently released our cheminformatics toolkit called Indigo. It consists of five software products: Bingo: Cartridge for Oracle database supporting a wide range of searches in molecule and reaction databases. Dingo: Molecule and reaction rendering library with a C# wrapper and a command-line utility. Cano: Canonical SMILES computation library with a C# wrapper. Deco: R-Group deconvolution and scaffold detection library and a command-line utility. Nucleo: Nucleotide chain handling library with a Java wrapper. It is all open-source and licensed under the terms of GPL v3. From your blog, I figured that you may be interested in new products for organic chemistry. If you are interested, please read further on our site: http://opensource.scitouch.net/indigo/ With best regards, Dmitry Hello Duan,

My name is Dmitry Pavlov. I work for SciTouch LLC.
Recently released our cheminformatics toolkit
called Indigo. It consists of five software products:

Bingo: Cartridge for Oracle database supporting a wide range of searches in molecule and reaction databases.
Dingo: Molecule and reaction rendering library with a C# wrapper and a command-line utility.
Cano: Canonical SMILES computation library with a C# wrapper.
Deco: R-Group deconvolution and scaffold detection library and a command-line utility.
Nucleo: Nucleotide chain handling library with a Java wrapper.

It is all open-source and licensed under the terms of GPL v3.

From your
blog, I figured that you may be interested in new
products for organic chemistry. If you are interested,
please read further on our site:

http://opensource.scitouch.net/indigo/

With best regards,

Dmitry

]]> Comment on About by zack http://chemhack.com/about/comment-page-1/#comment-223 zack Wed, 23 Sep 2009 14:08:21 +0000 http://chemhack.com/?page_id=2#comment-223 Hi, This is really cool stuff. I was wondering if you would be interested in helping me out modifying/improving your jsmoleditor? have you gotten any further with it than the preview 0.2? can you mail me? /zack Hi,
This is really cool stuff. I was wondering if you would be interested in helping me out modifying/improving your jsmoleditor? have you gotten any further with it than the preview 0.2? can you mail me?

/zack

]]> Comment on About by jiakuan http://chemhack.com/about/comment-page-1/#comment-207 jiakuan Sat, 29 Aug 2009 16:16:52 +0000 http://chemhack.com/?page_id=2#comment-207 今天听了你在 openparty 上的 GWT 话题，非常优秀的小伙子，呵呵。 今天听了你在 openparty 上的 GWT 话题，非常优秀的小伙子，呵呵。

]]> Comment on About by Asad http://chemhack.com/about/comment-page-1/#comment-203 Asad Tue, 18 Aug 2009 10:49:05 +0000 http://chemhack.com/?page_id=2#comment-203 try this http://www.ebi.ac.uk/thornton-srv/software/SMSD/ try this http://www.ebi.ac.uk/thornton-srv/software/SMSD/

]]> Comment on jsMolEditor preview 0.2 is available for download now. by Duan Lian http://chemhack.com/2009/02/jsmoleditor-preview-02-is-available-for-download-now/comment-page-1/#comment-194 Duan Lian Tue, 21 Jul 2009 00:48:37 +0000 http://chemhack.com/?p=234#comment-194 @Rojas, great idea. I'll work on that feature when I have time. Thanks. BTW, do you have any interest work on this project? @Rojas, great idea. I’ll work on that feature when I have time. Thanks.

BTW, do you have any interest work on this project?

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