{"id":188768,"date":"2024-11-12T01:36:22","date_gmt":"2024-11-11T17:36:22","guid":{"rendered":"https:\/\/server.hk\/cnblog\/188768\/"},"modified":"2024-11-12T01:36:23","modified_gmt":"2024-11-11T17:36:23","slug":"%e6%8e%a2%e7%b4%a2%e5%88%86%e5%ad%90%e7%b5%90%e6%a7%8b%e6%95%b8%e6%93%9a%e5%ba%ab%ef%bc%9a%e8%a7%a3%e5%af%86%e5%8c%96%e5%ad%b8%e4%b8%96%e7%95%8c%e5%a5%a7%e7%a7%98-%e5%88%86%e5%ad%90%e7%b5%90%e6%a7%8b","status":"publish","type":"post","link":"https:\/\/server.hk\/cnblog\/188768\/","title":{"rendered":"\u63a2\u7d22\u5206\u5b50\u7d50\u69cb\u6578\u64da\u5eab\uff1a\u89e3\u5bc6\u5316\u5b78\u4e16\u754c\u5967\u79d8 (\u5206\u5b50\u7d50\u69cb\u6578\u64da\u5eab)"},"content":{"rendered":"<h1 id=\"%e6%8e%a2%e7%b4%a2%e5%88%86%e5%ad%90%e7%b5%90%e6%a7%8b%e6%95%b8%e6%93%9a%e5%ba%ab%ef%bc%9a%e8%a7%a3%e5%af%86%e5%8c%96%e5%ad%b8%e4%b8%96%e7%95%8c%e5%a5%a7%e7%a7%98-rcyRALbiIq\">\u63a2\u7d22\u5206\u5b50\u7d50\u69cb\u6578\u64da\u5eab\uff1a\u89e3\u5bc6\u5316\u5b78\u4e16\u754c\u5967\u79d8<\/h1>\n<p>\u5728\u5316\u5b78\u7814\u7a76\u4e2d\uff0c\u5206\u5b50\u7d50\u69cb\u6578\u64da\u5eab\u626e\u6f14\u8457\u81f3\u95dc\u91cd\u8981\u7684\u89d2\u8272\u3002\u9019\u4e9b\u6578\u64da\u5eab\u4e0d\u50c5\u63d0\u4f9b\u4e86\u5927\u91cf\u7684\u5206\u5b50\u7d50\u69cb\u4fe1\u606f\uff0c\u9084\u5e6b\u52a9\u79d1\u5b78\u5bb6\u5011\u7406\u89e3\u5316\u5b78\u53cd\u61c9\u7684\u6a5f\u7406\u3001\u8a2d\u8a08\u65b0\u6750\u6599\u4ee5\u53ca\u958b\u767c\u85e5\u7269\u3002\u672c\u6587\u5c07\u6df1\u5165\u63a2\u8a0e\u5206\u5b50\u7d50\u69cb\u6578\u64da\u5eab\u7684\u529f\u80fd\u3001\u61c9\u7528\u53ca\u5176\u5728\u5316\u5b78\u7814\u7a76\u4e2d\u7684\u91cd\u8981\u6027\u3002<\/p>\n<h2 id=\"%e4%bb%80%e9%ba%bc%e6%98%af%e5%88%86%e5%ad%90%e7%b5%90%e6%a7%8b%e6%95%b8%e6%93%9a%e5%ba%ab%ef%bc%9f-rcyRALbiIq\">\u4ec0\u9ebc\u662f\u5206\u5b50\u7d50\u69cb\u6578\u64da\u5eab\uff1f<\/h2>\n<p>\u5206\u5b50\u7d50\u69cb\u6578\u64da\u5eab\u662f\u4e00\u7a2e\u5c08\u9580\u5b58\u5132\u548c\u7ba1\u7406\u5206\u5b50\u7d50\u69cb\u4fe1\u606f\u7684\u6578\u64da\u5eab\u3002\u9019\u4e9b\u6578\u64da\u5eab\u901a\u5e38\u5305\u542b\u5206\u5b50\u7684\u4e09\u7dad\u7d50\u69cb\u3001\u5316\u5b78\u7d44\u6210\u3001\u7269\u7406\u6027\u8cea\u4ee5\u53ca\u76f8\u95dc\u7684\u6587\u737b\u8cc7\u6599\u3002\u5e38\u898b\u7684\u5206\u5b50\u7d50\u69cb\u6578\u64da\u5eab\u5305\u62ec\uff1a<\/p>\n<ul>\n<li><strong>Protein Data Bank (PDB)<\/strong>\uff1a\u5c08\u6ce8\u65bc\u86cb\u767d\u8cea\u548c\u6838\u9178\u7684\u4e09\u7dad\u7d50\u69cb\u3002<\/li>\n<li><strong>Cambridge Structural Database (CSD)<\/strong>\uff1a\u6db5\u84cb\u6709\u6a5f\u548c\u91d1\u5c6c\u6709\u6a5f\u5316\u5408\u7269\u7684\u7d50\u69cb\u4fe1\u606f\u3002<\/li>\n<li><strong>PubChem<\/strong>\uff1a\u7531\u7f8e\u570b\u570b\u7acb\u885b\u751f\u7814\u7a76\u9662\u63d0\u4f9b\u7684\u516c\u5171\u5316\u5b78\u6578\u64da\u5eab\uff0c\u5305\u542b\u5927\u91cf\u7684\u5316\u5408\u7269\u4fe1\u606f\u3002<\/li>\n<\/ul>\n<h2 id=\"%e5%88%86%e5%ad%90%e7%b5%90%e6%a7%8b%e6%95%b8%e6%93%9a%e5%ba%ab%e7%9a%84%e5%8a%9f%e8%83%bd-rcyRALbiIq\">\u5206\u5b50\u7d50\u69cb\u6578\u64da\u5eab\u7684\u529f\u80fd<\/h2>\n<p>\u5206\u5b50\u7d50\u69cb\u6578\u64da\u5eab\u7684\u4e3b\u8981\u529f\u80fd\u5305\u62ec\uff1a<\/p>\n<ul>\n<li><strong>\u6578\u64da\u5b58\u5132\u8207\u6aa2\u7d22<\/strong>\uff1a\u7528\u6236\u53ef\u4ee5\u901a\u904e\u7d50\u69cb\u3001\u540d\u7a31\u6216\u5176\u4ed6\u5c6c\u6027\u6aa2\u7d22\u6240\u9700\u7684\u5206\u5b50\u4fe1\u606f\u3002<\/li>\n<li><strong>\u7d50\u69cb\u53ef\u8996\u5316<\/strong>\uff1a\u8a31\u591a\u6578\u64da\u5eab\u63d0\u4f9b\u53ef\u8996\u5316\u5de5\u5177\uff0c\u5e6b\u52a9\u7528\u6236\u4ee5\u4e09\u7dad\u5f62\u5f0f\u67e5\u770b\u5206\u5b50\u7d50\u69cb\u3002<\/li>\n<li><strong>\u6578\u64da\u5206\u6790<\/strong>\uff1a\u7528\u6236\u53ef\u4ee5\u5c0d\u6578\u64da\u9032\u884c\u5206\u6790\uff0c\u4f8b\u5982\u8a08\u7b97\u5206\u5b50\u7684\u7269\u7406\u5316\u5b78\u6027\u8cea\u3002<\/li>\n<\/ul>\n<h2 id=\"%e5%88%86%e5%ad%90%e7%b5%90%e6%a7%8b%e6%95%b8%e6%93%9a%e5%ba%ab%e7%9a%84%e6%87%89%e7%94%a8-rcyRALbiIq\">\u5206\u5b50\u7d50\u69cb\u6578\u64da\u5eab\u7684\u61c9\u7528<\/h2>\n<p>\u5206\u5b50\u7d50\u69cb\u6578\u64da\u5eab\u5728\u591a\u500b\u9818\u57df\u4e2d\u90fd\u6709\u5ee3\u6cdb\u7684\u61c9\u7528\uff1a<\/p>\n<h3 id=\"1-%e8%97%a5%e7%89%a9%e7%99%bc%e7%8f%be-rcyRALbiIq\">1. \u85e5\u7269\u767c\u73fe<\/h3>\n<p>\u5728\u85e5\u7269\u958b\u767c\u904e\u7a0b\u4e2d\uff0c\u79d1\u5b78\u5bb6\u5011\u9700\u8981\u4e86\u89e3\u76ee\u6a19\u86cb\u767d\u8cea\u7684\u7d50\u69cb\uff0c\u4ee5\u8a2d\u8a08\u80fd\u5920\u6709\u6548\u7d50\u5408\u7684\u85e5\u7269\u5206\u5b50\u3002\u901a\u904e\u67e5\u8a62PDB\uff0c\u7814\u7a76\u4eba\u54e1\u53ef\u4ee5\u7372\u5f97\u76ee\u6a19\u86cb\u767d\u8cea\u7684\u4e09\u7dad\u7d50\u69cb\uff0c\u5f9e\u800c\u9032\u884c\u5206\u5b50\u5c0d\u63a5\u548c\u85e5\u7269\u8a2d\u8a08\u3002<\/p>\n<h3 id=\"2-%e6%9d%90%e6%96%99%e7%a7%91%e5%ad%b8-rcyRALbiIq\">2. \u6750\u6599\u79d1\u5b78<\/h3>\n<p>\u5728\u6750\u6599\u79d1\u5b78\u4e2d\uff0c\u7814\u7a76\u4eba\u54e1\u5229\u7528\u5206\u5b50\u7d50\u69cb\u6578\u64da\u5eab\u4f86\u8a2d\u8a08\u65b0\u578b\u6750\u6599\u3002\u4f8b\u5982\uff0c\u901a\u904e\u5206\u6790CSD\u4e2d\u7684\u7d50\u69cb\u6578\u64da\uff0c\u79d1\u5b78\u5bb6\u53ef\u4ee5\u767c\u73fe\u5177\u6709\u7279\u5b9a\u6027\u8cea\u7684\u5316\u5408\u7269\uff0c\u4e26\u9032\u884c\u5408\u6210\u5be6\u9a57\u3002<\/p>\n<h3 id=\"3-%e7%92%b0%e5%a2%83%e7%a7%91%e5%ad%b8-rcyRALbiIq\">3. \u74b0\u5883\u79d1\u5b78<\/h3>\n<p>\u5206\u5b50\u7d50\u69cb\u6578\u64da\u5eab\u4e5f\u5728\u74b0\u5883\u79d1\u5b78\u4e2d\u767c\u63ee\u8457\u91cd\u8981\u4f5c\u7528\u3002\u7814\u7a76\u4eba\u54e1\u53ef\u4ee5\u5229\u7528\u9019\u4e9b\u6578\u64da\u5eab\u4f86\u7814\u7a76\u6c61\u67d3\u7269\u7684\u5316\u5b78\u6027\u8cea\u53ca\u5176\u5728\u74b0\u5883\u4e2d\u7684\u884c\u70ba\uff0c\u5f9e\u800c\u5236\u5b9a\u76f8\u61c9\u7684\u74b0\u4fdd\u63aa\u65bd\u3002<\/p>\n<h2 id=\"%e5%a6%82%e4%bd%95%e4%bd%bf%e7%94%a8%e5%88%86%e5%ad%90%e7%b5%90%e6%a7%8b%e6%95%b8%e6%93%9a%e5%ba%ab-rcyRALbiIq\">\u5982\u4f55\u4f7f\u7528\u5206\u5b50\u7d50\u69cb\u6578\u64da\u5eab<\/h2>\n<p>\u4f7f\u7528\u5206\u5b50\u7d50\u69cb\u6578\u64da\u5eab\u901a\u5e38\u9700\u8981\u9075\u5faa\u4ee5\u4e0b\u6b65\u9a5f\uff1a<\/p>\n<ol>\n<li><strong>\u9078\u64c7\u5408\u9069\u7684\u6578\u64da\u5eab<\/strong>\uff1a\u6839\u64da\u7814\u7a76\u9700\u6c42\u9078\u64c7\u5408\u9069\u7684\u6578\u64da\u5eab\uff0c\u5982PDB\u3001CSD\u6216PubChem\u3002<\/li>\n<li><strong>\u9032\u884c\u6aa2\u7d22<\/strong>\uff1a\u4f7f\u7528\u95dc\u9375\u5b57\u3001\u7d50\u69cb\u6216\u5176\u4ed6\u5c6c\u6027\u9032\u884c\u6aa2\u7d22\u3002<\/li>\n<li><strong>\u5206\u6790\u6578\u64da<\/strong>\uff1a\u6839\u64da\u6aa2\u7d22\u7d50\u679c\u9032\u884c\u6578\u64da\u5206\u6790\u548c\u53ef\u8996\u5316\u3002<\/li>\n<\/ol>\n<h2 id=\"%e7%b5%90%e8%ab%96-rcyRALbiIq\">\u7d50\u8ad6<\/h2>\n<p>\u5206\u5b50\u7d50\u69cb\u6578\u64da\u5eab\u662f\u5316\u5b78\u7814\u7a76\u4e2d\u4e0d\u53ef\u6216\u7f3a\u7684\u5de5\u5177\uff0c\u70ba\u79d1\u5b78\u5bb6\u5011\u63d0\u4f9b\u4e86\u8c50\u5bcc\u7684\u6578\u64da\u8cc7\u6e90\uff0c\u5e6b\u52a9\u4ed6\u5011\u89e3\u5bc6\u5316\u5b78\u4e16\u754c\u7684\u5967\u79d8\u3002\u96a8\u8457\u79d1\u6280\u7684\u9032\u6b65\uff0c\u9019\u4e9b\u6578\u64da\u5eab\u5c07\u4e0d\u65b7\u64f4\u5c55\u548c\u5b8c\u5584\uff0c\u70ba\u672a\u4f86\u7684\u7814\u7a76\u63d0\u4f9b\u66f4\u5f37\u5927\u7684\u652f\u6301\u3002<\/p>\n<p>\u5982\u679c\u60a8\u5c0d\u65bc\u5982\u4f55\u5229\u7528\u5206\u5b50\u7d50\u69cb\u6578\u64da\u5eab\u9032\u884c\u7814\u7a76\u6709\u8208\u8da3\uff0c\u6216\u662f\u9700\u8981\u9ad8\u6548\u7684\u8a08\u7b97\u8cc7\u6e90\u4f86\u652f\u6301\u60a8\u7684\u7814\u7a76\uff0c\u8003\u616e\u4f7f\u7528\u6211\u5011\u7684<a href=\"https:\/\/server.hk\">\u9999\u6e2fVPS<\/a>\u670d\u52d9\uff0c\u70ba\u60a8\u7684\u79d1\u7814\u5de5\u4f5c\u63d0\u4f9b\u7a69\u5b9a\u7684\u652f\u6301\u3002<\/p>\n","protected":false},"excerpt":{"rendered":"<p>\u63a2\u7d22\u5206\u5b50\u7d50\u69cb\u6578\u64da\u5eab\uff0c\u63ed\u793a\u5316\u5b78\u4e16\u754c\u7684\u5967\u79d8\uff0c\u52a9\u60a8\u6df1\u5165\u7406\u89e3\u5206\u5b50\u7d50\u69cb\u8207\u5176\u529f\u80fd\u4e4b\u9593\u7684\u95dc\u806f\u3002<\/p>\n","protected":false},"author":0,"featured_media":0,"comment_status":"closed","ping_status":"","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[101],"tags":[],"class_list":["post-188768","post","type-post","status-publish","format-standard","hentry","category-database"],"_links":{"self":[{"href":"https:\/\/server.hk\/cnblog\/wp-json\/wp\/v2\/posts\/188768","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/server.hk\/cnblog\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/server.hk\/cnblog\/wp-json\/wp\/v2\/types\/post"}],"replies":[{"embeddable":true,"href":"https:\/\/server.hk\/cnblog\/wp-json\/wp\/v2\/comments?post=188768"}],"version-history":[{"count":1,"href":"https:\/\/server.hk\/cnblog\/wp-json\/wp\/v2\/posts\/188768\/revisions"}],"predecessor-version":[{"id":188769,"href":"https:\/\/server.hk\/cnblog\/wp-json\/wp\/v2\/posts\/188768\/revisions\/188769"}],"wp:attachment":[{"href":"https:\/\/server.hk\/cnblog\/wp-json\/wp\/v2\/media?parent=188768"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/server.hk\/cnblog\/wp-json\/wp\/v2\/categories?post=188768"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/server.hk\/cnblog\/wp-json\/wp\/v2\/tags?post=188768"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}