{"title":"MOLDA for Windows -在个人计算机上使用VRML查看器的分子建模和分子图形程序","authors":"H. Yoshida, H. Matsuura","doi":"10.2477/JCHEMSOFT.3.147","DOIUrl":null,"url":null,"abstract":"MOLDA for Windows, an interactive personal-computer molecular modeling and molecular graphics program, which can be used as an interface to the ab initio molecular orbital program GAUSSIAN 94, the molecular dynamics simulation program AMBER 4.0 and the molecular mechanics program MM2, is described. The molecular model constructed by using MOLDA can be transferred to the Virtual Reality Modeling Language (VRML) format file and viewed by using a VRML viewer on the World Wide Web (WWW).","PeriodicalId":205210,"journal":{"name":"Journal of Chemical Software","volume":"77 1","pages":"0"},"PeriodicalIF":0.0000,"publicationDate":"1997-07-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"13","resultStr":"{\"title\":\"MOLDA for Windows -A Molecular Modeling and Molecular Graphics Program Using a VRML Viewer on Personal Computers\",\"authors\":\"H. Yoshida, H. Matsuura\",\"doi\":\"10.2477/JCHEMSOFT.3.147\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"MOLDA for Windows, an interactive personal-computer molecular modeling and molecular graphics program, which can be used as an interface to the ab initio molecular orbital program GAUSSIAN 94, the molecular dynamics simulation program AMBER 4.0 and the molecular mechanics program MM2, is described. The molecular model constructed by using MOLDA can be transferred to the Virtual Reality Modeling Language (VRML) format file and viewed by using a VRML viewer on the World Wide Web (WWW).\",\"PeriodicalId\":205210,\"journal\":{\"name\":\"Journal of Chemical Software\",\"volume\":\"77 1\",\"pages\":\"0\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"1997-07-15\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"13\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Chemical Software\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.2477/JCHEMSOFT.3.147\",\"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.3.147","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 13
摘要
介绍了可作为从头算分子轨道程序GAUSSIAN 94、分子动力学模拟程序AMBER 4.0和分子力学程序MM2接口的交互式个人计算机分子建模和分子图形程序MOLDA for Windows。利用MOLDA构建的分子模型可以转换为虚拟现实建模语言(VRML)格式文件，并通过万维网上的VRML查看器进行查看。
MOLDA for Windows -A Molecular Modeling and Molecular Graphics Program Using a VRML Viewer on Personal Computers
MOLDA for Windows, an interactive personal-computer molecular modeling and molecular graphics program, which can be used as an interface to the ab initio molecular orbital program GAUSSIAN 94, the molecular dynamics simulation program AMBER 4.0 and the molecular mechanics program MM2, is described. The molecular model constructed by using MOLDA can be transferred to the Virtual Reality Modeling Language (VRML) format file and viewed by using a VRML viewer on the World Wide Web (WWW).
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