{"title":"MOLCONV: A powerful interface program for converting molecule structure files between PC based modeling programs","authors":"Tamas E. Gunda","doi":"10.1016/0898-5529(90)90076-K","DOIUrl":null,"url":null,"abstract":"<div><p>A molecular input/output data file conversion utility for the IBM PC is presented. The program included on disk in this issue reads and writes the file format of CPSS, Alchemy, Sybyl, Molidea, Desktop MM, PCMODEL, MGP+ modeling software as well as Z-matrix, fractional X-ray and Cartesian coordinates. In addition to conversion, the molecules can be inspected and some geometric data can be calculated. Other utilities are also included.</p></div>","PeriodicalId":101214,"journal":{"name":"Tetrahedron Computer Methodology","volume":"3 6","pages":"Pages 515-522"},"PeriodicalIF":0.0000,"publicationDate":"1990-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0898-5529(90)90076-K","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Tetrahedron Computer Methodology","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/089855299090076K","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0
Abstract
A molecular input/output data file conversion utility for the IBM PC is presented. The program included on disk in this issue reads and writes the file format of CPSS, Alchemy, Sybyl, Molidea, Desktop MM, PCMODEL, MGP+ modeling software as well as Z-matrix, fractional X-ray and Cartesian coordinates. In addition to conversion, the molecules can be inspected and some geometric data can be calculated. Other utilities are also included.
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