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CML Explained<cml><molecule id="caffeine"><atomArray/><bondArray/></molecule></cml>
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<cml><molecule id="caffeine"><atomArray/><bondArray/></molecule></cml>
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CML Explained | cmlexplained.blogspot.com Reviews
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&lt;cml>&lt;molecule id="caffeine">&lt;atomArray/>&lt;bondArray/>&lt;/molecule>&lt;/cml>
cmlexplained.blogspot.com
CML Explained: February 2007
http://cmlexplained.blogspot.com/2007_02_01_archive.html
Cml molecule id="caffeine" atomArray/ bondArray/ /molecule /cml. Wednesday, February 14, 2007. Writing up CML conventions in LaTeX. Atom id="c1" elementType="C" hydrogenCount="3". Atom id="n1" elementType="N" hydrogenCount="2". Bond atomRefs="c1 n1" order="s"/. Including CML examples in the LaTeX source. Because the framework makes use of the LaTeX package listings, it cannot make use of the include command to include the code examples into the PDF. Instead, it makes use of a preprocessor that includ...
CML Explained: Chemical Formulas in CML
http://cmlexplained.blogspot.com/2007/03/chemical-formula-in-cml.html
Cml molecule id="caffeine" atomArray/ bondArray/ /molecule /cml. Thursday, March 08, 2007. Chemical Formulas in CML. Molecular formulas are useful to have in CML, especially when connectivity is not know. Working on Computer Aided Structure Elucidation (CASE) based on NMR and MS data, this is of particular interest, as the input I have is in CML. CML provides a few options to contain such, all using the formula element ( xsd. The first option is to use a concise. Formula concise="C 5 H 10 O 2"/.
CML Explained: Creating plain text from CML source
http://cmlexplained.blogspot.com/2006/10/creating-plain-text-from-cml-source.html
Cml molecule id="caffeine" atomArray/ bondArray/ /molecule /cml. Sunday, October 22, 2006. Creating plain text from CML source. Recently the fourth release of the Blue Obelisk. This data repository provides basic data about elements and isotopes, such as high resolution mass information. The data is taken from literature, and the repository is used by several projects, like OpenBabel. Can be used to create such plain text files from the XML search. Xmlns:xsl="http:/ www.w3.org/1999/XSL/Transform". The th...
CML Explained: CML id's picky on allowed characters
http://cmlexplained.blogspot.com/2006/11/cml-ids-picky-on-allowed-characters.html
Cml molecule id="caffeine" atomArray/ bondArray/ /molecule /cml. Wednesday, November 01, 2006. CML id's picky on allowed characters. Yesterday, I was hacking on the atom type lists in the CDK. MM2, MMFF94, PDB and a few customs ones) which the project has stored in CML. The files had not been updated to CML 2.3, which is the most recent specification we use in the CDK (see bug #1562342. In the XML Schema for CML 2.3. It extends the XML Schema datatype. Scalar dataType="xsd:integer" dictRef="cdk:valency" 5.
CML Explained: November 2006
http://cmlexplained.blogspot.com/2006_11_01_archive.html
Cml molecule id="caffeine" atomArray/ bondArray/ /molecule /cml. Wednesday, November 01, 2006. CML id's picky on allowed characters. Yesterday, I was hacking on the atom type lists in the CDK. MM2, MMFF94, PDB and a few customs ones) which the project has stored in CML. The files had not been updated to CML 2.3, which is the most recent specification we use in the CDK (see bug #1562342. In the XML Schema for CML 2.3. It extends the XML Schema datatype. Scalar dataType="xsd:integer" dictRef="cdk:valency" 5.
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kemistry desktop environment: KDE 4.0.0: no Yukuake for Kubuntu?
http://kemistry-desktop.blogspot.com/2008/01/kde-400-no-yukuake-for-kubuntu.html
Saturday, January 19, 2008. KDE 40.0: no Yukuake for Kubuntu? Last week I installed the Kubuntu gutsy packages. For KDE 4.0.0. And was delighted about the result (see the visual guide. Surely, I have some things I got so much used too, which do not seem 4.0.0 material:. Taskbar at the top of the desktop. Option to resize the taskbar. Searching files with I tagged/rated with Dolphin/Nepomuk. Strigi still does not have PDF support (and I'm not that fluent in C ). The set in the Kubuntu debs seems limited.
kemistry desktop environment: Alexandr interviewed on Strigi/Chemistry GSoC project
http://kemistry-desktop.blogspot.com/2007/10/alexandr-interviewed-on-strigichemistry.html
Saturday, October 13, 2007. Alexandr interviewed on Strigi/Chemistry GSoC project. Gave an interview with KDE's Dot. On his Google Summer of Code project on the use of Strigi to search chemical documents on the desktop. Subscribe to: Post Comments (Atom). Assistant professor at Maastricht University, studying biology at an unsupervised but atomic level. Open science is my main hobby resulting in participation in, among many others, Bioclipse, CDK and Wikipathways. . 7542-0286. Posts on G are personal.
kemistry desktop environment: Friend-of-a-Friend (FOAF) support in Strigi
http://kemistry-desktop.blogspot.com/2007/11/friend-of-friend-foaf-support-in-strigi.html
Friday, November 16, 2007. Friend-of-a-Friend (FOAF) support in Strigi. Last week I have been hacking on a Strigi. Files Now, one will not expect FOAF files on ones desktop soon. unless, you start indexing your Konqueror. History. I have not seen that feature yet, but not overly difficult to implement for a skilled Konqueror developer (just use the dbus interface for Strigi). However, HTML files may have this line in the head element:. Rel='meta' title='FOAF' type='application/rdf xml'/. Assistant profes...
kemistry desktop environment: Help! Unsolved problems with maximized Kubuntu Intrepid windows
http://kemistry-desktop.blogspot.com/2008/11/help-unsolved-problems-with-maximized.html
Friday, November 14, 2008. Unsolved problems with maximized Kubuntu Intrepid windows. After quite happily having upgraded to Intrepid. On two machines (a laptop and a desktop), I started upgrading a second laptop. By now, I had apt-p2p. Installed on my first laptop, and with the help of Cameron hacked apt-p2p. To allow my laptop use the apt-p2p installation of my already migrated laptop. The download went rather smoothly. Anyway, that's not important to my problem. I removed my .kde. Problem could be fix...
kemistry desktop environment: March 2007
http://kemistry-desktop.blogspot.com/2007_03_01_archive.html
Thursday, March 08, 2007. Chemical KDE GSoC Project Ideas. Will participate again in the Google Summer of Code. At this moment two project ideas are written up related to chemistry:. A 3D Molecular Editor. Strigi: chemistry and biology support. The second is my personal favorite, and I have worked on this topic. In the past myself. See also Carsten's post on this. The only thing I really miss in the full list of ideas. Is the idea of completing a Greasemonkey plugin for Konqueror. Links to this post.
kemistry desktop environment: June 2008
http://kemistry-desktop.blogspot.com/2008_06_01_archive.html
Saturday, June 07, 2008. Fish: my next generation sh? In a nice write up of functionality. Nice tip! I have been using BASH for a long time now, before which I used csh, IIRC. Oi, that was on the old Solaris days. Anyway, default settings are quite nice, but one thing I don't like so much is the abbreviated pwd. In the prompt. At least, not for the full prompt. It would suite me best of the last two or three directories were not abbreviated, but could not find an option for that. Instead of prompt pwd.
kemistry desktop environment: October 2007
http://kemistry-desktop.blogspot.com/2007_10_01_archive.html
Saturday, October 13, 2007. Alexandr interviewed on Strigi/Chemistry GSoC project. Gave an interview with KDE's Dot. On his Google Summer of Code project on the use of Strigi to search chemical documents on the desktop. Links to this post. Subscribe to: Posts (Atom). Assistant professor at Maastricht University, studying biology at an unsupervised but atomic level. Open science is my main hobby resulting in participation in, among many others, Bioclipse, CDK and Wikipathways. . View my complete profile.
kemistry desktop environment: November 2007
http://kemistry-desktop.blogspot.com/2007_11_01_archive.html
Friday, November 16, 2007. Friend-of-a-Friend (FOAF) support in Strigi. Last week I have been hacking on a Strigi. Files Now, one will not expect FOAF files on ones desktop soon. unless, you start indexing your Konqueror. History. I have not seen that feature yet, but not overly difficult to implement for a skilled Konqueror developer (just use the dbus interface for Strigi). However, HTML files may have this line in the head element:. Rel='meta' title='FOAF' type='application/rdf xml'/. Assistant profes...
kemistry desktop environment: November 2008
http://kemistry-desktop.blogspot.com/2008_11_01_archive.html
Friday, November 14, 2008. Unsolved problems with maximized Kubuntu Intrepid windows. After quite happily having upgraded to Intrepid. On two machines (a laptop and a desktop), I started upgrading a second laptop. By now, I had apt-p2p. Installed on my first laptop, and with the help of Cameron hacked apt-p2p. To allow my laptop use the apt-p2p installation of my already migrated laptop. The download went rather smoothly. Anyway, that's not important to my problem. I removed my .kde. Problem could be fix...
chemicalblogspace.blogspot.com
The Chemical blogspace Blog: August 2007
http://chemicalblogspace.blogspot.com/2007_08_01_archive.html
The Chemical blogspace Blog. This blog is used to announce changes in the Chemical Blogspace aggregator. Saturday, August 25, 2007. Clean up of RSS feeds. The number of registered RSS feeds are slightly below 150 chemistry oriented blogs; a number of them have ceased to exist, or moved to a different host, or simply changed URL. I just spent an hour or so, debugging these changes, as the Cb software does not really report that. But things are now updated again. Posted by Egon Willighagen. Why I do this?
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Malte Lewan's Blog | Just another WordPress.com weblog
Malte Lewan's Blog. Just another WordPress.com weblog. 13 december, 2006. Welcome to WordPress.com. This is your first post. Edit or delete it and start blogging! Blogga med WordPress.com.
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CML Explained
Cml molecule id="caffeine" atomArray/ bondArray/ /molecule /cml. Friday, September 18, 2009. Bond order information and aromaticity. CML allows you to mark a bond as single (S), double (D), triple (T), but also as aromatic (A). The latter has the downside that one looses the localization of the double bonds, often used in 2D diagrams, e.g. in JChemPaint. Addresses this by storing the aromaticity as additional property on the bond:. Bond atomRefs='a1 a2' order='D' bondType dictRef="cdk:aromaticBond"/ /bond.
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