2009-07-08 17:00:43 Jerome Pansanel <j.pansanel@pansanel.net>
* Release 2.2
* Many fixes in tools
* New htdocs/notices.html file
* Compounds and directory are now sorted by alphabetic order
* New version of Jmol included
2009-07-07 17:44:36 Jerome Pansanel <j.pansanel@pansanel.net>
* New categories added:
Natural products
Peptides
* New structures added:
carboxylic_acids/4-aminobutanoic_acid.cml
ethers/tetrahydropyran.cml
ketones/pyrrol-2-one.cml
ketones/1_5-dihydro-2H-pyrrol-2-one.cml
natural_products/norepinephrine.cml
natural_products/coelenterazine.cml
natural_products/D-luciferin.cml
natural_products/R-adrenaline.cml
peptides/aspartame.cml
2008-02-23 Jerome Pansanel <j.pansanel@pansanel.net>
* Traditionnal Chinese translation added
2009-02-04 Jerome Pansanel <j.pansanel@pansanel.net>
* The build system has been updated. The out-of-source build is now
supported.
2008-01-03 15:05:40 Jerome Pansanel <j.pansanel@pansanel.net>
* Release 2.1
2008-01-01 13:45:18 Jerome Pansanel <j.pansanel@pansanel.net>
* Fix some html lines for xhtml1.0-strict compliancy
* Many table element are replaced by div element
* style.css is updated to fit new html
2007-12-10 12:54:05 Jerome Pansanel <j.pansanel@pansanel.net>
* Spanish translation available
* Minor bug fixes
2007-12-06 14:34:22 Jerome Pansanel <j.pansanel@pansanel.net>
* Switch from RDFa to MicroFormat
2007-12-03 11:38:40 Jerome Pansanel <j.pansanel@pansanel.net>
* New structures:
polycyclic_alkanes/norbornane.cml
drugs/diazepam.cml
aromatics/5-phenyl-1_3-dihydro-2H-1_4-benzodiazepin-2-one.cml
aromatics/1H-1_4-benzodiazepine.cml
aromatics/1H-1_2-benzodiazepine.cml
amino_acids/L-4-nitrophenylalanine.cml
2007-11-30 13:52:33 Jerome Pansanel <j.pansanel@pansanel.net>
* RDFa support is added
* Some bug fixes
* Some german translation issues have been fixed
* Improved formula index
* French translations are available for each compound
2007-11-30 12:05:28 Jerome Pansanel <j.pansanel@pansanel.net>
* Renamed structures:
water/water.cml
thiols/R_butane-2-thiol.cml
polycyclic_aromatics/caffeine.cml
polycyclic_aromatics/acenaphthenequinone.cml
polycyclic_aromatics/uric_acid.cml
polycyclic_aromatics/D-warfarin.cml
polycyclic_aromatics/2-Benzofuranyl_methyl_ketone.cml
polycyclic_aromatics/phthalimide.cml
polycyclic_aromatics/coumarin.cml
polycyclic_aromatics/chromone.cml
polycyclic_aromatics/N-2-hydroxyethylphthalimide.cml
2007-11-28 12:01:44 Jerome Pansanel <j.pansanel@pansanel.net>
* Renamed structures:
sulfones/p-toluenesulfonic_acid.cml
sulfoxides/dimethyl_sulfoxide.cml
2007-11-27 17:45:46 Jerome Pansanel <j.pansanel@pansanel.net>
* Renamed structures
polycyclic_alkanes/1R-camphor.cml
polycyclic_alkanes/1R-camphene.cml
nitriles/isobutyronitrile.cml
nitriles/butyronitrile.cml
nitriles/propionitrile.cml
macrocycles/porphin.cml
ketones/acetone.cml
ketones/p-benzoquinone.cml
ketones/o-benzoquinone.cml
ketones/hexafluoroacetone.cml
ketones/methyl_vinyl_ketone.cml
heteroaromatics/nicotinamide.cml
heteroaromatics/picolinic_acid.cml
heteroaromatics/picolinamide.cml
heteroaromatics/nicotinic_acid.cml
heteroaromatics/isonicotinamide.cml
heteroaromatics/isonicotinic_acid.cml
2007-11-26 20:45:34 Jerome Pansanel <j.pansanel@pansanel.net>
* Renamed structures:
haloalkanes/2-chloro-2-methylpropane.cml
nucleobases/*.cml
2007-11-25 16:35:33 Jerome Pansanel <j.pansanel@pansanel.net>
* Renamed structures:
fatty_acids/cervonic_acid.cml
fatty_acids/arachidonic_acid.cml
fatty_acids/linolenic_acid.cml
fatty_acids/stearic_acid.cml
fatty_acids/oleic_acid.cml
fatty_acids/lauric_acid.cml
fatty_acids/myristic_acid.cml
fatty_acids/palmitic_acid.cml
fatty_acids/linoleic_acid.cml
2007-11-24 11:30:56 Jerome Pansanel <j.pansanel@pansanel.net>
* Renamed structures:
drugs/D-amphetamine.cml
carboxylic_acids/D-lactic_acid.cml
carboxylic_acids/D-malic_acid.cml
carboxylic_acids/L-ascorbic_acid.cml
carboxylic_acids/L-lactic_acid.cml
carboxylic_acids/L-malic_acid.cml
ethers/dipropylether.cml
ethers/di-tert-butylether.cml
ethers/dibutylether.cml
ethers/diisopropylether.cml
ethers/diethylether.cml
ethers/dimethylether.cml
ethers/tetrahydrofuran.cml
2007-11-23 23:10:13 Jerome Pansanel <j.pansanel@pansanel.net>
* Renamed structures:
carboxylic_acids/L-tartaric_acid.cml
carboxylic_acids/D-tartaric_acid.cml
carboxylic_acids/citric_acid.cml
amino_acids/*.cml
amines/{many}.cml
2007-10-03 13:39:45 Jerome Pansanel <j.pansanel@pansanel.net>
* Many carbohydrate structures have been added:
carbohydrates/d-allose.cml
carbohydrates/d-altrose.cml
carbohydrates/d-arabinose.cml
carbohydrates/d-erythrose.cml
carbohydrates/d-erythrulose.cml
carbohydrates/d-fructose.cml
carbohydrates/d-galactose.cml
carbohydrates/d-glucose.cml
carbohydrates/d-glyceraldehyde.cml
carbohydrates/d-gulose.cml
carbohydrates/d-idose.cml
carbohydrates/d-lyxose.cml
carbohydrates/d-mannose.cml
carbohydrates/d-psicose.cml
carbohydrates/d-ribose.cml
carbohydrates/d-ribulose.cml
carbohydrates/d-sorbose.cml
carbohydrates/d-tagatose.cml
carbohydrates/d-talose.cml
carbohydrates/d-threose.cml
carbohydrates/d-xylose.cml
carbohydrates/d-xylulose.cml
carbohydrates/dihydroxyacetone.cml
2007-08-08 10:58:37 Jerome Pansanel <j.pansanel@pansanel.net>
* Update each file to UTF-8 (<?xml version="1.0" encoding="UTF-8"?> and
recode ISO-8859-1..UTF-8)
2007-08-06 14:20:21 Jerome Pansanel <j.pansanel@pansanel.net>
* Update all files with new name for exact mass (monoisotopic mass)
* Chage bpt and mpt to bp and mp
* Uppercase for the first letter of the first word in each property title
* Update indentation
* Change xsd:decimal to xsd:double
* Fix InChi identifiers
2007-07-18 18:30:15 Jerome Pansanel <j.pansanel@pansanel.net>
* Fix cml namespace for the 524 structures
2007-02-28 19:40:11 Jerome Pansanel <j.pansanel@pansanel.net>
* Add dutch translation
* Fix InChI code
* Fix width
* Release 2.0.1
2007-02-27 09:47:24 Jerome Pansanel <j.pansanel@pansanel.net>
* Create formulaindexwriter and nameindexwriter from dataindexwriter
* Add a sort function for chemical formula to make_index.py
* Add Kelvin units
* Fix src/CMakeLists.txt
* Release 2.0.0
2007-02-26 15:59:25 Jerome Pansanel <j.pansanel@pansanel.net>
* Fix some translations in xml/l10n.xsl
* Change many entries in src/styles/style.css
* Move to cmake build system
* Add a cmake module: FindOpenBabel2Exe.cmake
* Add several python scripts for building and checking the webpages
* Move some files to other directories:
- pyridine derivatives to heteraromatics
- bromosuccinimide to amides
* Fix some IUPAC names
2006-11-24 13:58:25 Jerome Pansanel <j.pansanel@pansanel.net>
* Update xml/l10n.xsl
* Add new structure directories: macrocycles, nitroalkanes, sulfones,
sulfoxides and thiols
* alcohols/Z-hex-3-en-1-ol.cml
* alcohols/2_2_2-trifluoroethanol.cml
* alcohols/2-thioethanol.cml
* alcohols/1_1_1_3_3_3-hexafluoropropan-2-ol.cml
* aldehydes/prop-2-enal.cml
* alkenes/cycloocta-1_3-diene.cml
* alkenes/cyclopenta-1_3-diene.cml
* alkenes/cycloocta-1_3_5_7-tetraene.cml
* alkenes/cycloocta-1_3_5-triene.cml
* alkenes/cyclohexa-1_4-diene.cml
* alkenes/cyclohexa-1_3-diene.cml
* alkenes/cyclohepta-1_4-diene.cml
* alkenes/cyclohepta-1_3_5-triene.cml
* alkenes/cyclohepta-1_3-diene.cml
* amides/N_N-dimethylacetamide.cml
* amides/ethyl_carbamate.cml
* amines/1R_2S-cyclohexane-1_2-diamine.cml
* amines/1S_2S-cyclohexane-1_2-diamine.cml
* amines/1_4-diazabicyclo_2_2_2_octane.cml
* amines/2-methylpropan-2-amine.cml
* amines/2S-butan-2-amine.cml
* amines/N-ethylethanamine.cml
* amines/N-methylmethanamine.cml
* amines/N_N_N2_N2-tetramethylethane-1_2-diamine.cml
* amines/cyclohexanamine.cml
* amines/cyclopentamine.cml
* amines/pentane-1_5-diamine.cml
* aromatics/1-chloro-2-ethenylbenzene.cml
* aromatics/1-chloro-2-methoxybenzene.cml
* aromatics/1-chloro-3-methoxybenzene.cml
* aromatics/1-chloro-4-methoxybenzene.cml
* aromatics/1-phenylbutan-1-one.cml
* aromatics/1_3_5-trichloro-2-methoxybenzene.cml
* aromatics/2-chloro-4-nitroaniline.cml
* aromatics/2-chloro-5-methylphenol.cml
* aromatics/2_2-dimethyl-3H-benzofuran-7-yl_N-methylcarbamate.cml
* aromatics/2_3_4_5_6-pentachlorophenol.cml
* aromatics/2_4_6-trichlorophenol.cml
* aromatics/4-bromo-5-methyl-2-propan-2-yl-phenol.cml
* aromatics/4-chloro-2-methylphenol.cml
* aromatics/4-chloro-3-methylphenol.cml
* aromatics/4-chloroaniline.cml
* aromatics/4-methoxybenzaldehyde.cml
* aromatics/4-methylbenzoic_acid.cml
* aromatics/4-octylphenol.cml
* aromatics/5-chloro-2-2_4-dichlorophenoxy_phenol.cml
* aromatics/E-2-chloroethenyl_benzene.cml
* aromatics/E-2-phenylethenyl_benzene.cml
* aromatics/benzhydrylbenzene.cml
* aromatics/benzonitrile.cml
* aromatics/nitrobenzene.cml
* carboxylic_acids/2_2-dichloroacetic_acid.cml
* carboxylic_acids/2_2_2-trichloroacetic_acid.cml
* drugs/2S-1-phenylpropan-2-amine.cml
* ethers/1_4_7_10_13_16-hexaoxacyclooctadecane.cml
* ethers/2-2-hydroxyethoxy_ethanol.cml
* haloalkanes/1-chloro-1_1_2_2_2-pentafluoroethane.cml
* haloalkanes/1_1_1-trichloroethane.cml
* haloalkanes/1_1_1_2_2-pentafluoroethane.cml
* haloalkanes/1_1_1_2_2_2-hexafluoroethane.cml
* haloalkanes/2-bromo-2-methylpropane.cml
* haloalkanes/2S-2-bromobutane.cml
* haloalkanes/2S-2-chlorobutane.cml
* haloalkanes/difluoromethane.cml
* heteroaromatics/1H-pyridine-2-thione.cml
* heteroaromatics/pyridine-2-thiol.cml
* ketones/1_1_1_3_3_3-hexafluoropropanone.cml
* ketones/Z-4-hydroxypent-3-en-2-one.cml
* ketones/but-3-en-2-one.cml
* ketones/cyclohex-2-en-1-one.cml
* ketones/cyclohexanone.cml
* ketones/cyclopent-2-en-1-one.cml
* macrocycles/molecules.xml
* macrocycles/porphyrin.cml
* nitriles/1_1_1-trichloroacetonitrile.cml
* nitriles/2-methylpropanenitrile.cml
* nitriles/butanenitrile.cml
* nitriles/propanenitrile.cml
* nitroalkanes/molecules.xml
* nitroalkanes/nitroethane.cml
* nitroalkanes/nitromethane.cml
* polycyclic_alkanes/1R_4S-1_7_7-trimethylnorbornan-2-one.cml
* polycyclic_alkanes/1R_4S-2_2-dimethyl-3-methylidenenorbornane.cml
* polycyclic_alkanes/cubane.cml
* polycyclic_aromatics/1_3_7-trimethylpurine-2_6-dione.cml
* polycyclic_aromatics/2-hydroxy-3-1R-3-oxo-1-phenylbutyl_chromen-4-one.cml
* polycyclic_aromatics/7_9-dihydro-3H-purine-2_6_8-trione.cml
* sulfones/4-methylbenzenesulfonic_acid.cml
* sulfones/benzenesulfonic_acid.cml
* sulfones/methanesulfonic_acid.cml
* sulfones/molecules.xml
* sulfoxides/methylsulfinylmethane.cml
* sulfoxides/molecules.xml
* thiols/2-methylproprane-2-thiol.cml
* thiols/butane-1-thiol.cml
* thiols/butane-2-thiol.cml
* thiols/ethane-1_2-dithiol.cml
* thiols/ethanethiol.cml
* thiols/heptane-1-thiol.cml
* thiols/hexane-1-thiol.cml
* thiols/methanethiol.cml
* thiols/molecules.xml
* thiols/octane-1-thiol.cml
* thiols/pentane-1-thiol.cml
* thiols/proprane-1-thiol.cml
* thiols/proprane-2-thiol.cml
2006-11-13 14:34:03 Jerome Pansanel <j.pansanel@pansanel.net>
* Modify xml/molecule_data.xsl : using Jmol.js script
* Move src/bin to src/jmol
* Add complete jmol binary distribution (v10.2) to /src/jmol
2006-11-09 12:06:23 Jerome Pansanel <j.pansanel@pansanel.net>
* Add new structure directories: alkynes, drugs
* Update directories.xml
* Add alcohols/cyclohexanol.cml
* Add alcohols/cyclopentanol.cml
* Add alcohols/but-2-yne-1_4-diol.cml
* Update alcohols/molecules.xml
* Add alkynes/acetylene.cml
* Add alkynes/but-1-yne.cml
* Add alkynes/but-2-yne.cml
* Add alkynes/propyne.cml
* Add alkynes/molecules.xml
* Add amides/acetamide.cml
* Update amides/molecules.xml
* Add aromatics/2-bromophenol.cml
* Add aromatics/2-chlorophenol.cml
* Add aromatics/2-phenylacetic_acid.cml
* Add aromatics/2-pyridin-2-ylpyridine.cml
* Add aromatics/3-bromophenol.cml
* Add aromatics/3-chlorophenol.cml
* Add aromatics/3-pyridin-3-ylpyridine.cml
* Add aromatics/4-bromophenol.cml
* Add aromatics/4-chlorophenol.cml
* Add aromatics/4-pyridin-4-ylpyridine.cml
* Add aromatics/N_N-dimethylaniline.cml
* Add aromatics/anisol.cml
* Add aromatics/benzoyl_chloride.cml
* Add aromatis/benzamide.cml
* Add aromatics/bromobenzene.cml
* Add aromatics/chlorobenzene.cml
* Add aromatics/pyridine-2-carboxamide.cml
* Add aromatics/pyridine-2-carboxylic_acid.cml
* Add aromatics/pyridine-3-carboxamide.cml
* Add aromatics/pyridine-3-carboxylic_acid.cml
* Add aromatics/pyridine-4-carboxamide.cml
* Add aromatics/pyridine-4-carboxylic_acid.cml
* Update aromatics/molecules.xml
* Add drugs/4-acetamidophenyl_2-hydroxybenzoate.cml
* Add drugs/N-4-hydroxyphenyl_acetamide.cml
* Add drugs/acepromazine.cml
* Add drugs/molecules.xml
* Add ethers/R-2-ethoxybutane.cml
* Update ethers/molecules.xml
* Add haloalkanes/1-bromopropane.cml
* Add haloalkanes/1_4-dichlorobut-2-yne.cml
* Add haloalkanes/2-bromopropane.cml
* Add haloalkanes/2-chloropropane.cml
* Add haloalkanes/bromocyclohexane.cml
* Add haloalkanes/bromoethane.cml
* Add haloalkanes/bromomethane.cml
* Add haloalkanes/bromotrifluoromethane.cml
* Add haloalkanes/chloro-chloromethoxy_methane.cml
* Add haloalkanes/chlorocyclohexane.cml
* Update haloalkanes/molecules.xml
* Add polycyclic_aromatics/acenaphthene-1_2-dione.cml
* Add polycyclic_aromatics/acenaphthene.cml
* Add polycyclic_aromatics/acenaphthylene.cml
* Update polycyclic_aromatics/molecules.xml
* Add polycyclic_alkanes/abietic_acid.cml
* Update polycyclic_alkanes/molecules.xml
2006-10-17 10:43:45 Jerome Pansanel <j.pansanel@pansanel.net>
* Update german translations in alcohols/molecules.xml
* Update german translations in aldehydes/molecules.xml
* Update german translations in alkanes/molecules.xml
* Update german translations in alkenes/molecules.xml
* Update german translations in amides/molecules.xml
* Update german translations in amines/molecules.xml
* Update german translations in amino_acids/molecules.xml
* Update german translations in aromatics/molecules.xml
* Update german translations in carbamides/molecules.xml
* Update german translations in carbohydrates/molecules.xml
* Update german translations in carboxylic_acids/molecules.xml
2006-10-16 13:44:03 Jerome Pansanel <j.pansanel@pansanel.net>
* Add alkanes/1S_2S-1-ethyl-2-methylcyclopentane.cml
* Update alkanes/molecules.xml
* Add alkenes/3Z_3-ethylhepta-1_3-diene.cml
* Update alkenes/molecules.xml
* Add aromatics/tris_4-dimethylaminophenyl_methanol.cml
* Add aromatics/tris_4-aminophenyl_methanol.cml
* Add aromatics/triphenylmethanol.cml
* Add aromatics/4_bis_4-dimethylaminophenyl_methylene-2_5-\
cyclohexadien-1-iminium.cml
* Update aromatics/molecules.xml
* Add polycyclic_aromatics/1_1-benzofuran-2-yl_ethanone.cml
* Update polycyclic_aromatics/molecules.xml
2006-10-11 16:45:11 Jerome Pansanel <j.pansanel@pansanel.net>
* Release 1.05
* Remove 8Z_12Z_16Z_19Z-docosa-8_12_16_19-tetraenoic_acid.cml
(Structure was false and non-relevant)
* Update fatty_acids with MOPAC/PM3 optimized structures
2006-10-03 08:43:10 Jerome Pansanel <j.pansanel@pansanel.net>
* Update alcohols with MOPAC/PM3 optimized structures
* Update aldehydes with MOPAC/PM3 optimized structures
* Update alkanes with MOPAC/PM3 optimized structures
* Update alkenes with MOPAC/PM3 optimized structures
* Update amides with MOPAC/PM3 optimized structures
* Update amines with MOPAC/PM3 optimized structures
* Update amino_acids with MOPAC/PM3 optimized structures
* Update aromatics with MOPAC/PM3 optimized structures
* Update carbamides with MOPAC/PM3 optimized structures
* Update carbohydrates with MOPAC/PM3 optimized structures
* Update carboxylic_acid with MOPAC/PM3 optimized structures
* Update esters with MOPAC/PM3 optimized structures
* Update ethers with MOPAC/PM3 optimized structures
* Update haloalkanes with MOPAC/PM3 optimized structures
* Update heteroaromatics with MOPAC/PM3 optimized structures
* Update ketones with MOPAC/PM3 optimized structures
* Update nitriles with MOPAC/PM3 optimized structures
* Update nucleobases with MOPAC/PM3 optimized structures
* Update polycyclic_alkanes with MOPAC/PM3 optimized structures
* Update polycyclic_aromatics with MOPAC/PM3 optimized structures
* Update thioethers with MOPAC/PM3 optimized structures
* Update water with MOPAC/PM3 optimized structures
2006-06-29 08:43:10 Jerome Pansanel <j.pansanel@pansanel.net>
* Add cyclohexa-2,5-diene-1,4-dione
* Add cyclohexa-2,4-diene-1,6-dione
* Add benzene-1,2-diol
* Add benzene-1,3-diol
* Add benzene-1,4-diol
* Add 2,4,6-trimethylaniline
* Change make.sh to Makefile
* Add chemwt.xml to xml directory
2006-06-28 08:02:52 Jerome Pansanel <j.pansanel@pansanel.net>
* Update README
2006-06-27 08:51:28 Jerome Pansanel <j.pansanel@pansanel.net>
* Release 1.0
* Add (2R,3R)-2-Amino-3-hydroxy-butanoic acid (D-allo-Threonine)
* Add (2S,3R)-2-Amino-3-methyl-pentanoic acid (L-allo-Leucine)
* Add Linolein
2006-06-26 08:51:28 Jerome Pansanel <j.pansanel@pansanel.net>
* Add Pyrrolidine
* Add missing mpt values
* Add missing bpt values
2006-06-23 21:26:45 Jerome Pansanel <j.pansanel@pansanel.net>
* Add Butoxybutane
* Add missing mpt values
* Add missing bpt values
2006-06-22 08:34:56 Jerome Pansanel <j.pansanel@pansanel.net>
* Add formula to each cml file
* Add InChI (version 1) to each cml file
* Add property:molwt to each cml file
* Add property:exact_molwt to each cml file
* Add property:mpt tag to each cml file
* Add property:bpt tag to each cml file
* Add some bpt and mpt values
* Update l10n.xml
* Update molecule_data.xsl
2006-06-20 08:01:04 Jerome Pansanel <j.pansanel@pansanel.net>
* Release 0.9
* Fixes some issues in amino_acids directory
* Remove "(),[]" from molecule filenames
2006-06-19 19:12:26 Jerome Pansanel <j.pansanel@pansanel.net>
* Add l10n.xml (Localization)
* Add l10n.xsl (Internationalization)
* update make.sh (add support for fr and de languages)
2006-06-16 08:47:39 Jerome Pansanel <j.pansanel@pansanel.net>
* change applet to object in molecule_data.xsl
* add README
2006-06-15 08:39:11 Jerome Pansanel <j.pansanel@pansanel.net>
* release version 0.8
* add src/images/cml.png
* add src/images/mol.png
* add xsl style sheet for cml files
* add Jmol applet
* update directory_index.xsl
* update molecule_index.xsl
* use xsltproc by default (was sabcmd)
2006-06-14 18:12:50 Jerome Pansanel <j.pansanel@pansanel.net>
* add xsl stylesheet for directories and molecules
* update make.sh
* add some translation (german and french)
2006-06-13 18:48:19 Jerome Pansanel <j.pansanel@pansanel.net>
* change structure mol file to cml file type (was mol file type)
* add filename tag to index.xml
* change description tag to comments
* update the index files
* fix make.sh
2006-05-09 09:23:14 Jerome Pansanel <j.pansanel@pansanel.net>
* add new molecule types:
- fatty acids
- nucleobases
2006-05-08 14:12:23 Jerome Pansanel <j.pansanel@pansanel.net>
* add new molecule types:
- amides
- amines
- amino acids
- aromatics
- esters
- ethers
- nitriles
* remove molecule types:
- others
* create build script make.sh
* add licensing informations (COPYING file)
2006-05-05 10:33:52 Jerome Pansanel <j.pansanel@pansanel.net>
* add new molecule types:
- alcohols
- aldehydes
- alkanes
- alkenes
- carboxylics_acid
- others
- haloalkanes
- ketones
- other
- water