{"id":1860,"date":"2023-01-11T13:12:32","date_gmt":"2023-01-11T05:12:32","guid":{"rendered":"https:\/\/www.sunrise.tw\/?p=1860"},"modified":"2023-01-11T13:12:36","modified_gmt":"2023-01-11T05:12:36","slug":"cosmo-rs-make-result-files","status":"publish","type":"post","link":"https:\/\/www.sunrise.tw\/?p=1860","title":{"rendered":"COSMO-RS Make Result Files"},"content":{"rendered":"\n<div class=\"wp-container-4 wp-block-columns\">\n<div class=\"wp-container-3 wp-block-column\">\n<div class=\"wp-container-2 wp-block-columns\">\n<div class=\"wp-container-1 wp-block-column\">\n<figure class=\"wp-block-embed is-type-video is-provider-youtube wp-block-embed-youtube wp-embed-aspect-16-9 wp-has-aspect-ratio\"><div class=\"wp-block-embed__wrapper\">\n<div class=\"entry-content-asset videofit\"><iframe loading=\"lazy\" title=\"COSMO-RS Make Result Files\" width=\"1140\" height=\"641\" src=\"https:\/\/www.youtube.com\/embed\/8P7tinuDg3A?feature=oembed\" frameborder=\"0\" allow=\"accelerometer; autoplay; clipboard-write; encrypted-media; gyroscope; picture-in-picture; web-share\" allowfullscreen><\/iframe><\/div>\n<\/div><figcaption>\u9019\u90e8\u5f71\u7247\u4e3b\u8981\u6703\u4ecb\u7d39\u5982\u4f55\u8a08\u7b97COSMO-RS\u7684result files\u4ee5\u53ca\u4ecb\u7d39\u5b89\u88ddAMS\u63d0\u4f9b\u7684COSMO-RS database\u3002<\/figcaption><\/figure>\n\n\n\n<p><a href=\"https:\/\/www.youtube.com\/watch?v=8P7tinuDg3A&amp;t=12s\" target=\"_blank\" rel=\"noreferrer noopener\">00:00:12<\/a>  Introductions <br><a href=\"https:\/\/www.youtube.com\/watch?v=8P7tinuDg3A&amp;t=62s\" target=\"_blank\" rel=\"noreferrer noopener\">00:01:02<\/a>  COSMO result file by ADF <br><a href=\"https:\/\/www.youtube.com\/watch?v=8P7tinuDg3A&amp;t=225s\" target=\"_blank\" rel=\"noreferrer noopener\">00:03:45<\/a>  COSMO result file by MOPAC <br><a href=\"https:\/\/www.youtube.com\/watch?v=8P7tinuDg3A&amp;t=275s\" target=\"_blank\" rel=\"noreferrer noopener\">00:04:35<\/a>  COSMO result file by FastSigma method <br><a href=\"https:\/\/www.youtube.com\/watch?v=8P7tinuDg3A&amp;t=339s\" target=\"_blank\" rel=\"noreferrer noopener\">00:05:39<\/a>  Install COSMO-RS database<\/p>\n\n\n<style id=\"kb-spacer_c18e82-d8\">.wp-block-kadence-spacer.kt-block-spacer-_c18e82-d8 .kt-divider{width:100%;}<\/style>\n<div class=\"wp-block-kadence-spacer aligncenter kt-block-spacer-_c18e82-d8\"><div class=\"kt-block-spacer kt-block-spacer-halign-center\"><hr class=\"kt-divider\"\/><\/div><\/div>\n<\/div>\n<\/div>\n\n\n\n<h2>Introductions<\/h2>\n\n\n\n<p>The purpose of this tutorial is to show you how to make data for a compound using the AMS such that it can be read by COSMO-RS.<\/p>\n\n\n\n<ul><li>ADF COSMO result file<\/li><li>Polymers with ADF<\/li><li>MOPAC COSMO result file<\/li><li>Fast sigma COSMO file (QSPR)<\/li><li>Install the COSMO-RS compound database<\/li><\/ul>\n<\/div>\n<\/div>\n\n\n<style id=\"kb-spacer_d15fbc-d6\">.wp-block-kadence-spacer.kt-block-spacer-_d15fbc-d6 .kt-divider{width:80%;}<\/style>\n<div class=\"wp-block-kadence-spacer aligncenter kt-block-spacer-_d15fbc-d6\"><div class=\"kt-block-spacer kt-block-spacer-halign-center\"><\/div><\/div>\n","protected":false},"excerpt":{"rendered":"<p>00:00:12 Introductio &hellip; <a class=\"kt-excerpt-readmore more-link\" href=\"https:\/\/www.sunrise.tw\/?p=1860\">Read More<\/a><\/p>\n","protected":false},"author":1,"featured_media":1867,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"kt_blocks_editor_width":""},"categories":[18],"tags":[27,19],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v19.10 - https:\/\/yoast.com\/wordpress\/plugins\/seo\/ -->\r\n<title>COSMO-RS Make Result Files | Sunrise \u751f\u840a<\/title>\r\n<meta name=\"description\" content=\"\u9019\u90e8\u5f71\u7247\u4e3b\u8981\u6703\u4ecb\u7d39\u5982\u4f55\u8a08\u7b97COSMO-RS\u7684result files\u4ee5\u53ca\u4ecb\u7d39\u5b89\u88ddAMS\u63d0\u4f9b\u7684COSMO-RS database\u3002\" \/>\r\n<meta name=\"robots\" content=\"index, follow, max-snippet:-1, max-image-preview:large, max-video-preview:-1\" \/>\r\n<link rel=\"canonical\" href=\"https:\/\/www.sunrise.tw\/?p=1860\" \/>\r\n<meta property=\"og:locale\" content=\"zh_TW\" \/>\r\n<meta property=\"og:type\" content=\"article\" \/>\r\n<meta property=\"og:title\" content=\"COSMO-RS Make Result Files | Sunrise \u751f\u840a\" \/>\r\n<meta property=\"og:description\" content=\"\u9019\u90e8\u5f71\u7247\u4e3b\u8981\u6703\u4ecb\u7d39\u5982\u4f55\u8a08\u7b97COSMO-RS\u7684result files\u4ee5\u53ca\u4ecb\u7d39\u5b89\u88ddAMS\u63d0\u4f9b\u7684COSMO-RS database\u3002\" \/>\r\n<meta property=\"og:url\" content=\"https:\/\/www.sunrise.tw\/?p=1860\" \/>\r\n<meta property=\"og:site_name\" content=\"Sunrise\" \/>\r\n<meta property=\"article:published_time\" content=\"2023-01-11T05:12:32+00:00\" \/>\r\n<meta property=\"article:modified_time\" content=\"2023-01-11T05:12:36+00:00\" \/>\r\n<meta property=\"og:image\" content=\"https:\/\/www.sunrise.tw\/wp-content\/uploads\/2023\/01\/Tutorial-on-how-to-build-COSMO-result-files-with-AMS-GUI.png\" \/>\r\n\t<meta property=\"og:image:width\" content=\"842\" \/>\r\n\t<meta property=\"og:image:height\" content=\"405\" \/>\r\n\t<meta property=\"og:image:type\" content=\"image\/png\" \/>\r\n<meta name=\"author\" content=\"admin\" \/>\r\n<meta name=\"twitter:card\" content=\"summary_large_image\" \/>\r\n<meta name=\"twitter:label1\" content=\"Written by\" \/>\n\t<meta name=\"twitter:data1\" content=\"admin\" \/>\n\t<meta name=\"twitter:label2\" content=\"Est. reading time\" \/>\n\t<meta name=\"twitter:data2\" content=\"1 \u5206\u9418\" \/>\r\n<script type=\"application\/ld+json\" class=\"yoast-schema-graph\">{\"@context\":\"https:\/\/schema.org\",\"@graph\":[{\"@type\":\"Article\",\"@id\":\"https:\/\/www.sunrise.tw\/?p=1860#article\",\"isPartOf\":{\"@id\":\"https:\/\/www.sunrise.tw\/?p=1860\"},\"author\":{\"name\":\"admin\",\"@id\":\"https:\/\/www.sunrise.tw\/#\/schema\/person\/61cb6ed5bab34d8db25608a38e0a907f\"},\"headline\":\"COSMO-RS Make Result Files\",\"datePublished\":\"2023-01-11T05:12:32+00:00\",\"dateModified\":\"2023-01-11T05:12:36+00:00\",\"mainEntityOfPage\":{\"@id\":\"https:\/\/www.sunrise.tw\/?p=1860\"},\"wordCount\":85,\"commentCount\":0,\"publisher\":{\"@id\":\"https:\/\/www.sunrise.tw\/#organization\"},\"keywords\":[\"AMS\",\"COSMO-RS\"],\"articleSection\":[\"\u79d1\u6280\u65e5\u8a8c\"],\"inLanguage\":\"zh-TW\",\"potentialAction\":[{\"@type\":\"CommentAction\",\"name\":\"Comment\",\"target\":[\"https:\/\/www.sunrise.tw\/?p=1860#respond\"]}]},{\"@type\":\"WebPage\",\"@id\":\"https:\/\/www.sunrise.tw\/?p=1860\",\"url\":\"https:\/\/www.sunrise.tw\/?p=1860\",\"name\":\"COSMO-RS Make Result Files | Sunrise \u751f\u840a\",\"isPartOf\":{\"@id\":\"https:\/\/www.sunrise.tw\/#website\"},\"datePublished\":\"2023-01-11T05:12:32+00:00\",\"dateModified\":\"2023-01-11T05:12:36+00:00\",\"description\":\"\u9019\u90e8\u5f71\u7247\u4e3b\u8981\u6703\u4ecb\u7d39\u5982\u4f55\u8a08\u7b97COSMO-RS\u7684result files\u4ee5\u53ca\u4ecb\u7d39\u5b89\u88ddAMS\u63d0\u4f9b\u7684COSMO-RS database\u3002\",\"breadcrumb\":{\"@id\":\"https:\/\/www.sunrise.tw\/?p=1860#breadcrumb\"},\"inLanguage\":\"zh-TW\",\"potentialAction\":[{\"@type\":\"ReadAction\",\"target\":[\"https:\/\/www.sunrise.tw\/?p=1860\"]}]},{\"@type\":\"BreadcrumbList\",\"@id\":\"https:\/\/www.sunrise.tw\/?p=1860#breadcrumb\",\"itemListElement\":[{\"@type\":\"ListItem\",\"position\":1,\"name\":\"\u9996\u9801\",\"item\":\"https:\/\/www.sunrise.tw\/\"},{\"@type\":\"ListItem\",\"position\":2,\"name\":\"COSMO-RS Make Result Files\"}]},{\"@type\":\"WebSite\",\"@id\":\"https:\/\/www.sunrise.tw\/#website\",\"url\":\"https:\/\/www.sunrise.tw\/\",\"name\":\"Sunrise\",\"description\":\"\",\"publisher\":{\"@id\":\"https:\/\/www.sunrise.tw\/#organization\"},\"potentialAction\":[{\"@type\":\"SearchAction\",\"target\":{\"@type\":\"EntryPoint\",\"urlTemplate\":\"https:\/\/www.sunrise.tw\/?s={search_term_string}\"},\"query-input\":\"required name=search_term_string\"}],\"inLanguage\":\"zh-TW\"},{\"@type\":\"Organization\",\"@id\":\"https:\/\/www.sunrise.tw\/#organization\",\"name\":\"\u751f\u840a\uff5cSunrise\",\"url\":\"https:\/\/www.sunrise.tw\/\",\"logo\":{\"@type\":\"ImageObject\",\"inLanguage\":\"zh-TW\",\"@id\":\"https:\/\/www.sunrise.tw\/#\/schema\/logo\/image\/\",\"url\":\"https:\/\/www.sunrise.tw\/wp-content\/uploads\/2021\/04\/logo_sunrise2.png\",\"contentUrl\":\"https:\/\/www.sunrise.tw\/wp-content\/uploads\/2021\/04\/logo_sunrise2.png\",\"width\":336,\"height\":134,\"caption\":\"\u751f\u840a\uff5cSunrise\"},\"image\":{\"@id\":\"https:\/\/www.sunrise.tw\/#\/schema\/logo\/image\/\"},\"sameAs\":[\"https:\/\/www.youtube.com\/channel\/UCqdwPIm8LNVodLTaH1lU7ZQ\/featured\"]},{\"@type\":\"Person\",\"@id\":\"https:\/\/www.sunrise.tw\/#\/schema\/person\/61cb6ed5bab34d8db25608a38e0a907f\",\"name\":\"admin\",\"image\":{\"@type\":\"ImageObject\",\"inLanguage\":\"zh-TW\",\"@id\":\"https:\/\/www.sunrise.tw\/#\/schema\/person\/image\/\",\"url\":\"https:\/\/secure.gravatar.com\/avatar\/757b585d28010a38ddf46c91f0b5d39e?s=96&d=mm&r=g\",\"contentUrl\":\"https:\/\/secure.gravatar.com\/avatar\/757b585d28010a38ddf46c91f0b5d39e?s=96&d=mm&r=g\",\"caption\":\"admin\"},\"sameAs\":[\"http:\/\/linkiss.jjvk.com\/test\/sunrise\"],\"url\":\"https:\/\/www.sunrise.tw\/?author=1\"}]}<\/script>\r\n<!-- \/ Yoast SEO plugin. -->","yoast_head_json":{"title":"COSMO-RS Make Result Files | Sunrise \u751f\u840a","description":"\u9019\u90e8\u5f71\u7247\u4e3b\u8981\u6703\u4ecb\u7d39\u5982\u4f55\u8a08\u7b97COSMO-RS\u7684result files\u4ee5\u53ca\u4ecb\u7d39\u5b89\u88ddAMS\u63d0\u4f9b\u7684COSMO-RS database\u3002","robots":{"index":"index","follow":"follow","max-snippet":"max-snippet:-1","max-image-preview":"max-image-preview:large","max-video-preview":"max-video-preview:-1"},"canonical":"https:\/\/www.sunrise.tw\/?p=1860","og_locale":"zh_TW","og_type":"article","og_title":"COSMO-RS Make Result Files | Sunrise \u751f\u840a","og_description":"\u9019\u90e8\u5f71\u7247\u4e3b\u8981\u6703\u4ecb\u7d39\u5982\u4f55\u8a08\u7b97COSMO-RS\u7684result files\u4ee5\u53ca\u4ecb\u7d39\u5b89\u88ddAMS\u63d0\u4f9b\u7684COSMO-RS database\u3002","og_url":"https:\/\/www.sunrise.tw\/?p=1860","og_site_name":"Sunrise","article_published_time":"2023-01-11T05:12:32+00:00","article_modified_time":"2023-01-11T05:12:36+00:00","og_image":[{"width":842,"height":405,"url":"https:\/\/www.sunrise.tw\/wp-content\/uploads\/2023\/01\/Tutorial-on-how-to-build-COSMO-result-files-with-AMS-GUI.png","type":"image\/png"}],"author":"admin","twitter_card":"summary_large_image","twitter_misc":{"Written by":"admin","Est. reading time":"1 \u5206\u9418"},"schema":{"@context":"https:\/\/schema.org","@graph":[{"@type":"Article","@id":"https:\/\/www.sunrise.tw\/?p=1860#article","isPartOf":{"@id":"https:\/\/www.sunrise.tw\/?p=1860"},"author":{"name":"admin","@id":"https:\/\/www.sunrise.tw\/#\/schema\/person\/61cb6ed5bab34d8db25608a38e0a907f"},"headline":"COSMO-RS Make Result Files","datePublished":"2023-01-11T05:12:32+00:00","dateModified":"2023-01-11T05:12:36+00:00","mainEntityOfPage":{"@id":"https:\/\/www.sunrise.tw\/?p=1860"},"wordCount":85,"commentCount":0,"publisher":{"@id":"https:\/\/www.sunrise.tw\/#organization"},"keywords":["AMS","COSMO-RS"],"articleSection":["\u79d1\u6280\u65e5\u8a8c"],"inLanguage":"zh-TW","potentialAction":[{"@type":"CommentAction","name":"Comment","target":["https:\/\/www.sunrise.tw\/?p=1860#respond"]}]},{"@type":"WebPage","@id":"https:\/\/www.sunrise.tw\/?p=1860","url":"https:\/\/www.sunrise.tw\/?p=1860","name":"COSMO-RS Make Result Files | Sunrise \u751f\u840a","isPartOf":{"@id":"https:\/\/www.sunrise.tw\/#website"},"datePublished":"2023-01-11T05:12:32+00:00","dateModified":"2023-01-11T05:12:36+00:00","description":"\u9019\u90e8\u5f71\u7247\u4e3b\u8981\u6703\u4ecb\u7d39\u5982\u4f55\u8a08\u7b97COSMO-RS\u7684result files\u4ee5\u53ca\u4ecb\u7d39\u5b89\u88ddAMS\u63d0\u4f9b\u7684COSMO-RS database\u3002","breadcrumb":{"@id":"https:\/\/www.sunrise.tw\/?p=1860#breadcrumb"},"inLanguage":"zh-TW","potentialAction":[{"@type":"ReadAction","target":["https:\/\/www.sunrise.tw\/?p=1860"]}]},{"@type":"BreadcrumbList","@id":"https:\/\/www.sunrise.tw\/?p=1860#breadcrumb","itemListElement":[{"@type":"ListItem","position":1,"name":"\u9996\u9801","item":"https:\/\/www.sunrise.tw\/"},{"@type":"ListItem","position":2,"name":"COSMO-RS Make Result Files"}]},{"@type":"WebSite","@id":"https:\/\/www.sunrise.tw\/#website","url":"https:\/\/www.sunrise.tw\/","name":"Sunrise","description":"","publisher":{"@id":"https:\/\/www.sunrise.tw\/#organization"},"potentialAction":[{"@type":"SearchAction","target":{"@type":"EntryPoint","urlTemplate":"https:\/\/www.sunrise.tw\/?s={search_term_string}"},"query-input":"required name=search_term_string"}],"inLanguage":"zh-TW"},{"@type":"Organization","@id":"https:\/\/www.sunrise.tw\/#organization","name":"\u751f\u840a\uff5cSunrise","url":"https:\/\/www.sunrise.tw\/","logo":{"@type":"ImageObject","inLanguage":"zh-TW","@id":"https:\/\/www.sunrise.tw\/#\/schema\/logo\/image\/","url":"https:\/\/www.sunrise.tw\/wp-content\/uploads\/2021\/04\/logo_sunrise2.png","contentUrl":"https:\/\/www.sunrise.tw\/wp-content\/uploads\/2021\/04\/logo_sunrise2.png","width":336,"height":134,"caption":"\u751f\u840a\uff5cSunrise"},"image":{"@id":"https:\/\/www.sunrise.tw\/#\/schema\/logo\/image\/"},"sameAs":["https:\/\/www.youtube.com\/channel\/UCqdwPIm8LNVodLTaH1lU7ZQ\/featured"]},{"@type":"Person","@id":"https:\/\/www.sunrise.tw\/#\/schema\/person\/61cb6ed5bab34d8db25608a38e0a907f","name":"admin","image":{"@type":"ImageObject","inLanguage":"zh-TW","@id":"https:\/\/www.sunrise.tw\/#\/schema\/person\/image\/","url":"https:\/\/secure.gravatar.com\/avatar\/757b585d28010a38ddf46c91f0b5d39e?s=96&d=mm&r=g","contentUrl":"https:\/\/secure.gravatar.com\/avatar\/757b585d28010a38ddf46c91f0b5d39e?s=96&d=mm&r=g","caption":"admin"},"sameAs":["http:\/\/linkiss.jjvk.com\/test\/sunrise"],"url":"https:\/\/www.sunrise.tw\/?author=1"}]}},"_links":{"self":[{"href":"https:\/\/www.sunrise.tw\/index.php?rest_route=\/wp\/v2\/posts\/1860"}],"collection":[{"href":"https:\/\/www.sunrise.tw\/index.php?rest_route=\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www.sunrise.tw\/index.php?rest_route=\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www.sunrise.tw\/index.php?rest_route=\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/www.sunrise.tw\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=1860"}],"version-history":[{"count":3,"href":"https:\/\/www.sunrise.tw\/index.php?rest_route=\/wp\/v2\/posts\/1860\/revisions"}],"predecessor-version":[{"id":1865,"href":"https:\/\/www.sunrise.tw\/index.php?rest_route=\/wp\/v2\/posts\/1860\/revisions\/1865"}],"wp:featuredmedia":[{"embeddable":true,"href":"https:\/\/www.sunrise.tw\/index.php?rest_route=\/wp\/v2\/media\/1867"}],"wp:attachment":[{"href":"https:\/\/www.sunrise.tw\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=1860"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.sunrise.tw\/index.php?rest_route=%2Fwp%2Fv2%2Fcategories&post=1860"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.sunrise.tw\/index.php?rest_route=%2Fwp%2Fv2%2Ftags&post=1860"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}