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Jerome's Blog SpaceThe aim of this blog is to share informations on software developments and computing issues in Chemistry and Life Sciences.
http://pansanel.blogspot.com/
The aim of this blog is to share informations on software developments and computing issues in Chemistry and Life Sciences.
http://pansanel.blogspot.com/
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Jerome's Blog Space | pansanel.blogspot.com Reviews
https://pansanel.blogspot.com
The aim of this blog is to share informations on software developments and computing issues in Chemistry and Life Sciences.
pansanel.blogspot.com
Jerome's Blog Space: Major fix in Mychem
http://pansanel.blogspot.com/2008/11/major-fix-in-mychem.html
The aim of this blog is to share informations on software developments and computing issues in Chemistry and Life Sciences. Monday, November 10, 2008. Major fix in Mychem. A major bug has been fixed into Mychem. Fredrik Wallner has posted the main patch. In some case, the return value of Mychem functions was blank and no error were raised. Fredrik Wallner has founded that setting a character at the end of the string to ' 0' fixes this issue. Const char *inputMol = args- args[0];. Major fix in Mychem.
Jerome's Blog Space: chem-bla-ics: Warren DeLano and the future of PyMOL
http://pansanel.blogspot.com/2010/05/chem-bla-ics-warren-delano-and-future.html
The aim of this blog is to share informations on software developments and computing issues in Chemistry and Life Sciences. Tuesday, May 04, 2010. Chem-bla-ics: Warren DeLano and the future of PyMOL. Chem-bla-ics: Warren DeLano and the future of PyMOL. Subscribe to: Post Comments (Atom). Chem-bla-ics: Warren DeLano and the future of PyMO. The Alchem.org Project. The BlueObelisk.org Movement. View my complete profile.
Jerome's Blog Space: chem-bla-ics: Bioclipse-JChemPaint
http://pansanel.blogspot.com/2009/06/chem-bla-ics-bioclipse-jchempaint.html
The aim of this blog is to share informations on software developments and computing issues in Chemistry and Life Sciences. Saturday, June 20, 2009. Les équipes de développement CDK à l'université d'Uppsala et à l'EBI ont travaillé intensivement à la ré-écriture de JChemPaint. La nouvelle version est maintenant stable et devrait être prochainement annoncée officiellement. Ci-dessous, le lien vers l'annonce sur le blog d'Egon Willighagen, l'un des fondateurs du projet CDK :. The Alchem.org Project.
Jerome's Blog Space: The version 0.7.0 of Mychem has been released
http://pansanel.blogspot.com/2009/10/version-070-of-mychem-has-been-released.html
The aim of this blog is to share informations on software developments and computing issues in Chemistry and Life Sciences. Wednesday, October 14, 2009. The version 0.7.0 of Mychem has been released. The version 0.7.0 of Mychem has been released on 2009-09-30. This release represents a major bug-fix release and is a stable upgrade, strongly recommended for all users of Mychem. Added the mol2 to molecule() function. Added the molecule to mol2() function. Added the inchi version() function.
Jerome's Blog Space: April 2008
http://pansanel.blogspot.com/2008_04_01_archive.html
The aim of this blog is to share informations on software developments and computing issues in Chemistry and Life Sciences. Tuesday, April 08, 2008. New release of Mychem. The version 0.5.5 of Mychem has been released on 2008-04-08. The main changes are:. Molecule to canonical smiles. The Tanimoto function has been enhanced by two methods. The first was to store the. At least, a short article. Has been published about Pgchem. Subscribe to: Posts (Atom). New release of Mychem. The Alchem.org Project.
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The plate is bad: November 2014
http://theplateisbad.blogspot.com/2014_11_01_archive.html
Wednesday, November 26, 2014. A working RAMDisk for PostgreSQL on Windows. Aside from the debate if this is useful or dangerous, I tried several free RAMDisks for Windows, Gavotte RamDisk, AMD Radeon RAMDisk and SoftPerfect RAM Disk - and none of them works well with PostgreSQL. Either PostgreSQL refuses to use them at all for datafiles or it seems to work, but at some point in time the server tells you, that there is something wrong. With the datafiles on the ramdrive and data corruption bites.
The plate is bad: September 2014
http://theplateisbad.blogspot.com/2014_09_01_archive.html
Wednesday, September 3, 2014. Using Code: Blocks with the Intel C/C compiler on Windows in five minutes. Code: Blocks apparently does not support the latest Intel C/C compiler out of the box. Trying to set up the necessary include paths for both the Visual Studio compiler and the Intel compiler leads to madness. But there is an easier way:. The 32 bit toolchain executables are prefixed ia32. The 64 bit ones intel64. Just start codeblocks.exe. And it works without further ado. Wednesday, September 03, 2014.
The plate is bad: Row, row, row your boat...
http://theplateisbad.blogspot.com/2015/08/row-row-row-your-boat.html
Tuesday, August 4, 2015. Row, row, row your boat. Josh Berkus gave a hint that - and how - a similar functionality might be achieved with stock PostgreSQL. Let's see, if we can analyze a continuous twitter stream too. First, we need a fast table to act as the ringbuffer:. CREATE UNLOGGED TABLE tstest.tstream. Rec timestamp with time zone NOT NULL DEFAULT clock timestamp(),. Tevent jsonb NOT NULL,. CONSTRAINT pk tstream PRIMARY KEY (rec). Written in Java using the hosebird. Tuesday, August 04, 2015. The o...
The plate is bad: Deriving the elemental composition from a molformula in pgchem::tigress
http://theplateisbad.blogspot.com/2015/07/deriving-elemental-composition-from.html
Thursday, July 23, 2015. Deriving the elemental composition from a molformula in pgchem: tigress. Can generate molecular formulae like C3H6NO2-. But what if we need access to the elemental composition as a relation, e.g:. Fortunately, PostgreSQL is awesome:. CREATE OR REPLACE FUNCTION elemental composition(molformula TEXT). RETURNS TABLE(element TEXT, count INTEGER) AS. DECLARE token TEXT[];. DECLARE elements TEXT[];. Elements := ARRAY['C','N','O','P','S','Cl']; - expand as needed. Count := 1;. July 24, ...
The plate is bad: October 2014
http://theplateisbad.blogspot.com/2014_10_01_archive.html
Thursday, October 30, 2014. ToroDB Adventures: Adding unimplemented commands. Ok" : 0, "errmsg" : "Unimplemented command: create", "code" : 1000002 }. Ok" : 1 }. In five simple steps:. 1) Find out how the command is called internally. toroDB tells you that in the message:. So it is "create". 2) Look up the "create" command. Start in QueryCommandProcessor.java. 3) "create" does nothing at the moment, so add some code. I just copied it from "createIndexes" so. 4) Now, ProcessorCaller. Class, make it known.
The plate is bad: ToroDB up and running in five simple steps
http://theplateisbad.blogspot.com/2015/08/torodb-up-and-running-in-five-simple.html
Monday, August 17, 2015. ToroDB up and running in five simple steps. A working ToroDB installation in five steps. A working PostgreSQL instance, 9.4 or better:. Http:/ www.postgresql.org/download/. A suitable JRE, version 6 or higher. It has been mainly tested with Oracle JRE 8. The mongo shell and mongoimport from MongoDB:. Https:/ www.mongodb.org/. Some test data from citusdata:. Http:/ examples.citusdata.com/customer reviews nested 1998.json.gz. Hitman" Kevin MacLeod from incompetech.com.
The plate is bad: nseq - A datatype for the efficient storage of nucleotide sequences in PostgreSQL
http://theplateisbad.blogspot.com/2015/06/nseq-datatype-for-efficient-storage-of.html
Thursday, June 25, 2015. Nseq - A datatype for the efficient storage of nucleotide sequences in PostgreSQL. Datatype allows to store DNA and RNA sequences consisting of the letters AGCT or AGCU respectively in PostgreSQL. By encoding four bases per Byte, it uses 75 percent less space on disk than text. While this idea is obvious and far from being novel, it still is one of the most efficient compression schemes for DNA/RNA, if not the most efficient. As of now, nseq. Enough said - here. BTW: If you need ...
The plate is bad: March 2015
http://theplateisbad.blogspot.com/2015_03_01_archive.html
Wednesday, March 11, 2015. The Long Tail - vertical table partitioning III. In part III I'll try to give a raw estimate how big the performance penalty is when the partitioned table switches from. Storage during a query. And there is another important problem to be solved.". It took some time. Since I don't have a SMR HDD, I used a standard 5400 RPM 2TB HDD together with a 128 GB SSD instead. Both drives are attached to SATA2 ports. Gives the following performance data for the pair:. Shared buffers = 128...
The plate is bad: May 2015
http://theplateisbad.blogspot.com/2015_05_01_archive.html
Tuesday, May 19, 2015. The competition catches up - slowly. Http:/ blogs.msdn.com/b/jocapc/archive/2015/05/16/json-support-in-sql-server-2016.aspx. Tuesday, May 19, 2015. Subscribe to: Posts (Atom). The competition catches up - slowly. So much to do, so little time. Simple template. Powered by Blogger.
The plate is bad: ...gently down the stream
http://theplateisbad.blogspot.com/2015/08/gently-down-stream.html
Tuesday, August 4, 2015. Gently down the stream. So, for the test I changed the location to San Francisco and after about one hour the table tstest.tstream contains 3705 tweets. S elect tag, count(*) as tag count from tstest.tagstream group. By tag order by tag count desc limit 10;. So there is something going on on MTV in the Bay Area. :-). In a production system, I probably would write a background worker for stream injection instead of an external job. And following discussions on Database Soup.
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Jerome Pansanel Web Space
The Website is under (re)construction. The new site will be available on Wednesday, June 6th, 2007. Le site web est en cours de (re)construction. Le nouveau site sera disponible à partir du mercredi 6 juin 2007.
Jerome's Blog Space
The aim of this blog is to share informations on software developments and computing issues in Chemistry and Life Sciences. Friday, September 17, 2010. Mychem 0.8.1: more than just a bug fix. Mychem 0.8.1 has been released on 2010-09-07. This version fix an important bug. All functions using serialized obmol type were impacted. The problem has been resolved by using the solution published by the pgchem. The bug list is now empty. I'm waiting for new providers! Tuesday, May 04, 2010. Friday, July 10, 2009.
Site Web de Jérôme Pansanel
Le site est en cours de mise à jour! The site is being updated!
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