Quimify Opsin is an adaptation and translation to Spanish of OPSIN (Open Parser for Systematic IUPAC Nomenclature), a powerful parser for systematic IUPAC nomenclature. This project is intended to facilitate the generation of chemical structures from systematic IUPAC names in Spanish, and is used in Quimify as a library of quimifyapp/organic.
Build it:
String englishName = "2-methylpropanoic acid";
OpsinEnglish opsinEnglish = new OpsinEnglish(englishName);String spanishName = "ácido 2-metilpropanoico";
OpsinSpanish opsinSpanish = new OpsinSpanish(spanishName);Result:
if (opsinEnglish.isPresent()) {
opsinEnglish.getSmiles(); // CC(C(=O)O)C
opsinEnglish.getCml(); // Chemical Markup Language (too long)
}if (opsinSpanish.isPresent()) {
opsinSpanish.getSmiles(); // CC(C(=O)O)C
opsinSpanish.getCml(); // Chemical Markup Language (too long)
}Done before parsing names with OPSIN. For instance:
diethyl ether → ethyl ether
Done by editing resource files. For instance:
.../english/resources/functionalTerms.xml
<token value="[Br-]">bromide|bromid</token>
<token value="[Cl-]">chloride|chlorid</token>.../spanish/resources/functionalTerms.xml
<token value="[Br-]">bromuro|brom</token><!--TRANSLATED-->
<token value="[Cl-]">cloruro|clor</token><!--TRANSLATED-->Clone the repository and run Main from module quimify-opsin-english or quimify-opsin-spanish using Java 11.
To use Quimify Opsin in your project, you can generate a JAR file with dependencies by running the Maven task package with the command mvn package. The JAR files will be located at quimify-opsin-english/target and quimify-opsin-spanish/target respectively.
Alternatively, download the latest release available.
Quimify OPSIN uses the opsin-core module from OPSIN.
Do whatever you want with this code.
However, please be aware that our code relies on open-source dependencies, each with their own licenses and usage terms. Non-compliance with their licenses could have legal consequences.