{"title":"MOLDA for Java-一个用Java语言编写的独立于平台的分子建模和分子图形程序","authors":"H. Yoshida, H. Matsuura","doi":"10.2477/JCHEMSOFT.4.81","DOIUrl":null,"url":null,"abstract":"MOLDA for Java, a platform-independent molecular modeling and molecular graphics program written in the Java language, is presented. The molecular coordinates in MOLDA, XMol and Protein Data Bank formats can be transferred to the VRML1.0/2.0 format le and can be viewed as a molecular model by using a VRML viewer on the World Wide Web. This program can also be used as an interface to the semi-empirical molecular orbital program MOPAC and the ab initio molecular orbital program GAUSSIAN 94.","PeriodicalId":205210,"journal":{"name":"Journal of Chemical Software","volume":"401 1","pages":"0"},"PeriodicalIF":0.0000,"publicationDate":"1998-09-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"5","resultStr":"{\"title\":\"MOLDA for Java-A Platform-independent Molecular Modeling and Molecular Graphics Program Written in the Java Language\",\"authors\":\"H. Yoshida, H. Matsuura\",\"doi\":\"10.2477/JCHEMSOFT.4.81\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"MOLDA for Java, a platform-independent molecular modeling and molecular graphics program written in the Java language, is presented. The molecular coordinates in MOLDA, XMol and Protein Data Bank formats can be transferred to the VRML1.0/2.0 format le and can be viewed as a molecular model by using a VRML viewer on the World Wide Web. This program can also be used as an interface to the semi-empirical molecular orbital program MOPAC and the ab initio molecular orbital program GAUSSIAN 94.\",\"PeriodicalId\":205210,\"journal\":{\"name\":\"Journal of Chemical Software\",\"volume\":\"401 1\",\"pages\":\"0\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"1998-09-15\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"5\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Chemical Software\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.2477/JCHEMSOFT.4.81\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Chemical Software","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.2477/JCHEMSOFT.4.81","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 5
摘要
介绍了用Java语言编写的独立于平台的分子建模和分子图形程序MOLDA for Java。MOLDA、XMol和Protein Data Bank格式的分子坐标可以转换为VRML1.0/2.0格式，并可以通过在万维网上使用VRML查看器来查看分子模型。该程序还可以作为半经验分子轨道程序MOPAC和从头算分子轨道程序高斯94的接口。
MOLDA for Java-A Platform-independent Molecular Modeling and Molecular Graphics Program Written in the Java Language
MOLDA for Java, a platform-independent molecular modeling and molecular graphics program written in the Java language, is presented. The molecular coordinates in MOLDA, XMol and Protein Data Bank formats can be transferred to the VRML1.0/2.0 format le and can be viewed as a molecular model by using a VRML viewer on the World Wide Web. This program can also be used as an interface to the semi-empirical molecular orbital program MOPAC and the ab initio molecular orbital program GAUSSIAN 94.
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