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rich_media_meta_text\">2023-07-28 19:00:23<\/em><\/div>\n<p><content><\/p>\n<section style=\"margin-bottom: 0px;letter-spacing: 0.578px;white-space: normal;\" data-mpa-powered-by=\"yiban.io\">\n<section style=\"\">\n<section style=\"\">\n<section style=\"\">\n<section style=\"\">\n<section style=\"\">\n<section data-width=\"100%\" style=\"font-size: 16px;width: 578px;flex: 0 0 100%;opacity: 1;\">\n<section style=\"line-height: 1.8;\">\n<section>\n<section>\n<section style=\"margin-top: 10px;margin-bottom: 20px;display: flex;flex-flow: row nowrap;text-align: center;justify-content: center;\">\n<section style=\"display: inline-block;width: 578px;vertical-align: top;border-style: solid;border-width: 1px;border-color: rgb(67, 67, 67);flex: 0 0 auto;align-self: flex-start;height: auto;box-shadow: rgb(255, 219, 118) 6px 6px 0px;background-color: rgb(255, 255, 255);\">\n<section style=\"text-align: left;justify-content: flex-start;display: flex;flex-flow: row nowrap;\">\n<section style=\"display: inline-block;width: 403.391px;vertical-align: top;align-self: flex-start;flex: 0 0 auto;height: auto;\">\n<section style=\"margin-top: 10px;\">\n<section style=\"text-align: center;\">\n<section style=\"font-size: 16px;\">\n<section style=\"\" powered-by=\"xiumi.us\">\n<section style=\"text-align: left;justify-content: flex-start;display: flex;flex-flow: row nowrap;\">\n<section style=\"display: inline-block;vertical-align: top;width: 70.0348%;align-self: flex-start;flex: 0 0 auto;height: auto;max-width: 70.0348% !important;\">\n<section style=\"margin-top: 10px;\" powered-by=\"xiumi.us\">\n<section style=\"\" powered-by=\"xiumi.us\">\n<section style=\"text-align: center;\">\n<p style=\"text-indent: 0em;line-height: 1.75em;\"><span style=\"letter-spacing: 0.5px;\"><strong><span style=\"font-size: 15px;\"> \u751f\u4fe1\u4ebaR\u8bed\u8a00\u5b66\u4e60\u5fc5\u5907<\/span><\/strong><\/span><\/p>\n<p style=\"text-indent: 0em;line-height: 1.75em;\"><span style=\"letter-spacing: 0.5px;\"><strong><span style=\"font-size: 15px;\">\u7acb\u523b\u62e5\u6709\u4e00\u4e2aRstudio\u8d26\u53f7<\/span><\/strong><\/span><\/p>\n<p style=\"text-indent: 0em;line-height: 1.75em;\"><span style=\"letter-spacing: 0.5px;\"><strong><span style=\"font-size: 15px;\">\u5f00\u542f\u5347\u7ea7\u6a21\u5f0f\u5427<\/span><\/strong><\/span><\/p>\n<p style=\"text-indent: 0em;line-height: 1.75em;\"><span style=\"color: rgb(255, 129, 36);font-size: 12px;letter-spacing: 0.5px;\">\uff0856\u7ebf\u7a0b\uff0c256G\u5185\u5b58\uff0c\u4e2a\u4eba\u5b58\u50a81T\uff09<\/span><\/p>\n<\/section>\n<\/section>\n<\/section>\n<\/section>\n<section style=\"display: inline-block;vertical-align: top;width: 29.9652%;align-self: flex-start;flex: 0 0 auto;height: auto;max-width: 29.9652% !important;\">\n<section style=\"margin-top: 10px;margin-bottom: 10px;\" powered-by=\"xiumi.us\">\n<section style=\"text-align: center;line-height: 0;\">\n<section>\n<section style=\"display: inline-block;vertical-align: middle;\" powered-by=\"xiumi.us\">\n<section style=\"line-height: 0;\">\n<section style=\"width: 111px;\" powered-by=\"xiumi.us\">\n<section style=\"line-height: 1.75em;text-indent: 0em;\">\n<section style=\"vertical-align: middle;display: inline-block;line-height: 0;height: auto;width: 111px;\"><img decoding=\"async\" class=\"rich_pages wxw-img\" data-ratio=\"1\" src=\"https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/06\/1_GBhsibRAgNiaQsH4ichdP9ibEhHMFA-101.png?w=640\" onerror=\"this.src='https:\/\/mmbiz.qpic.cn\/sz_mmbiz_png\/zcicibWZessAyL6u7wJswOp8vtpzGp6vYngnlT6jiavu08Bvp2iblzGf3IkoBD9NGBhsibRAgNiaQsH4ichdP9ibEhHMFA\/640?wx_fmt=png'\" data-type=\"png\" data-w=\"400\" style=\"vertical-align: middle;width: 100%;\" data-recalc-dims=\"1\"><\/section>\n<\/section>\n<\/section>\n<\/section>\n<\/section>\n<\/section>\n<\/section>\n<\/section>\n<\/section>\n<\/section>\n<\/section>\n<\/section>\n<p style=\"text-indent: 0em;line-height: 1.75em;\"><br \/><\/p>\n<\/section>\n<\/section>\n<\/section>\n<\/section>\n<\/section>\n<\/section>\n<\/section>\n<\/section>\n<\/section>\n<\/section>\n<section data-role=\"list\" style=\"\">\n<section style=\"\">\n<section powered-by=\"xiumi.us\" style=\"font-size: 16px;margin-top: 10px;margin-bottom: 8px;text-align: left;justify-content: flex-start;display: flex;flex-flow: row nowrap;\">\n<section style=\"padding-left: 8px;display: inline-block;width: 578px;vertical-align: top;border-left: 3px solid rgb(219, 219, 219);border-bottom-left-radius: 0px;align-self: flex-start;flex: 0 0 auto;\">\n<section powered-by=\"xiumi.us\" style=\"color: rgba(0, 0, 0, 0.5);text-align: justify;\">\n<p><span style=\"font-family: \u5fae\u8f6f\u96c5\u9ed1;font-size: 14px;\">\u4eca\u5929\u6211\u4eec\u6765\u5b66\u4e60\u4e00\u4e0b\u914d\u4f53\u5c0f\u5206\u5b50\u7684RMSD\u5982\u4f55\u8ba1\u7b97\u67e5\u770b\u3002<\/span><\/p>\n<\/section>\n<\/section>\n<\/section>\n<section powered-by=\"xiumi.us\" style=\"\">\n<section style=\"\">\n<section powered-by=\"xiumi.us\" style=\"\">\n<section style=\"\">\n<section powered-by=\"xiumi.us\" style=\"\">\n<section style=\"\">\n<section powered-by=\"xiumi.us\" style=\"\">\n<p style=\"font-size: 16px;white-space: normal;\"><br \/><\/p>\n<p><span style=\"font-family: \u5fae\u8f6f\u96c5\u9ed1;font-size: 14px;\">\u5728\u52a8\u529b\u5b66\u6a21\u62df\u5206\u6790\u4e2d,\u5f88\u57fa\u672c\u7684\u4e00\u9879\u5206\u6790\u5c31\u662fRMSD\u503c\u7684\u6c42\u7b97\u3002<\/span><span style=\"font-family: \u5fae\u8f6f\u96c5\u9ed1;font-size: 14px;text-decoration: underline;\"><strong><span style=\"text-decoration: underline;font-family: \u5fae\u8f6f\u96c5\u9ed1;font-size: 14px;color: rgb(0, 122, 170);\">RMSD\u503c\u5373\u5747\u65b9\u6839\u504f\u5dee\uff08Root Mean Square Deviation\uff09<\/span><\/strong><\/span><span style=\"font-family: \u5fae\u8f6f\u96c5\u9ed1;font-size: 14px;\">\u3002\u5728\u7edf\u8ba1\u5b66\u4e0a\uff0c\u8fd9\u4e2a\u91cf\u5c31\u76f8\u5f53\u4e8e\u6807\u51c6\u5dee,\u53cd\u6620\u7684\u662f\u6570\u636e\u504f\u79bb\u5e73\u5747\u503c\u7684\u7a0b\u5ea6\u3002\u5728\u86cb\u767d\u8d28\u7ed3\u6784\u89e3\u6790\uff0c\u6a21\u5efa\uff0c\u7ed3\u6784\u8054\u914d(structure alignment\uff09\u4ee5\u53ca\u5206\u5b50\u52a8\u529b\u5b66\u6a21\u62df\u4e2d\uff0cRMSD\u503c\u662f\u975e\u5e38\u5e38\u7528\u7684\u4e00\u9879\u53c2\u6570,\u7528\u4e8e\u8861\u91cf\u539f\u5b50\u504f\u79bb\u6bd4\u5bf9\u4f4d\u7f6e\u7684\u7a0b\u5ea6\u3002<\/span><span style=\"mso-spacerun:'yes';font-family:\u5fae\u8f6f\u96c5\u9ed1;font-size:12.0000pt;mso-font-kerning:1.0000pt;\"><o:p><\/o:p><\/span><\/p>\n<p><span style=\"font-family: \u5fae\u8f6f\u96c5\u9ed1;font-size: 14px;\">\u4eca\u5929\u6211\u4eec\u6765\u5b66\u4e60\u4e00\u4e0b\u914d\u4f53\u5c0f\u5206\u5b50\u7684RMSD\u5982\u4f55\u8ba1\u7b97\u67e5\u770b<\/span><\/p>\n<section class=\"channels_iframe_wrp\"><mp-common-videosnap class=\"js_uneditable custom_select_card channels_live_iframe\" data-pluginname=\"mpvideosnap\" data-headimgurl=\"https:\/\/wx.qlogo.cn\/finderhead\/DX68kVlzcbz8hx9HMoThqGJzT37Slibt5l9fBMMKy3pg\/0\" data-username=\"v2_060000231003b20faec8c7e38019c0d4cc02ec33b077ef3bc1e59b4a7f53fd21ec5cd455628a@finder\" data-nickname=\"\u4e91\u751f\u4fe1\u5b66\u751f\u7269\u4fe1\u606f\u5b66\" data-desc=\"\u5c06\u572808\u670801\u65e5 15:00 \u76f4\u64ad\" data-livewording=\"\u9884\u7ea6\" data-intro=\"\u8ddf\u7740nature\u5b66\u7ed8\u56fe\uff0c\u6709\u624b\u5c31\u884cChiplot\u96f6\u4ee3\u7801\u7ed8\u5236\u65f6\u95f4\u5206\u6b67\u6811&\u5e26\u8272\u5757\u805a\u7c7b\u70ed\u56fe\" data-type=\"live\" data-status=\"0\" data-noticeid=\"finderlivenotice-v2_060000231003b20faec8c7e38019c0d4cc02ec33b077ef3bc1e59b4a7f53fd21ec5cd455628a@finder-1690162760537124-1147360090\"><\/mp-common-videosnap><\/section>\n<p><strong style=\"letter-spacing: 1px;font-size: 16px;color: rgb(0, 122, 170);\"><\/strong><\/p>\n<p><span style=\"font-family: \u5fae\u8f6f\u96c5\u9ed1;font-size: 14px;\">1.\u9996\u5148\u6211\u4eec\u4f7f\u7528pymol\uff0c\u9009\u62e9\u4e00\u6b21\u5bf9\u63a5\u7ed3\u679c\u4e2d\u53d7\u4f53\u548c\u914d\u4f53\u7684pdbqt\u6587\u4ef6\uff0c\u5206\u522b\u6253\u5f00\u3002File->open<\/span><span style=\"mso-spacerun:'yes';font-family:\u5fae\u8f6f\u96c5\u9ed1;font-size:12.0000pt;mso-font-kerning:1.0000pt;\"><o:p><\/o:p><\/span><\/p>\n<section style=\"\">\n<section style=\"\">\n<section style=\"margin-bottom: 0px;padding-right: 15px;padding-left: 15px;outline: 0px;font-size: 14px;visibility: visible;\">\n<section style=\"padding-right: 15px;padding-left: 15px;outline: 0px;visibility: visible;\">\n<p style=\"text-align: center;\"><img decoding=\"async\" class=\"rich_pages wxw-img\" data-galleryid=\"\" data-ratio=\"0.08959537572254335\" data-s=\"300,640\" src=\"https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/06\/2_VKynCjPdslFXQ9p82I9kbKBUJ2H0xQ.png?w=640\" onerror=\"this.src='https:\/\/mmbiz.qpic.cn\/sz_mmbiz_png\/zcicibWZessAySluCsI4g499lVRLKEdY2sWQJzlyPyPzNeYyHFU8D8JVNwVKynCjPdslFXQ9p82I9kbKBUJ2H0xQ\/640?wx_fmt=png'\" data-type=\"png\" data-w=\"692\" style=\"\" data-recalc-dims=\"1\" \/><\/p>\n<p><br \/><\/p>\n<p style=\"text-align: center;\"><img decoding=\"async\" class=\"rich_pages wxw-img\" data-galleryid=\"\" data-ratio=\"0.37329700272479566\" data-s=\"300,640\" src=\"https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/06\/3_GEaoOdotPerMf5ExDu6GuoKBpSCrZA.png?w=640\" onerror=\"this.src='https:\/\/mmbiz.qpic.cn\/sz_mmbiz_png\/zcicibWZessAySluCsI4g499lVRLKEdY2ssIGITCn3CY6AeQau0IevatSUGEaoOdotPerMf5ExDu6GuoKBpSCrZA\/640?wx_fmt=png'\" data-type=\"png\" data-w=\"367\" style=\"\" data-recalc-dims=\"1\" \/><\/p>\n<p style=\"text-align: justify;\"><br \/><\/p>\n<p style=\"text-align: justify;\"><span style=\"font-family: \u5fae\u8f6f\u96c5\u9ed1;letter-spacing: 0.578px;text-align: justify;text-indent: 0em;font-size: 14px;\">2.\u7136\u540e\u6211\u4eec\u5728\u547d\u4ee4\u680f\u8f93\u5165align grid\uff0cCID101238141\u6309\u56de\u8f66<\/span><\/p>\n<p style=\"text-align: center;\"><img decoding=\"async\" class=\"rich_pages wxw-img\" data-galleryid=\"\" data-ratio=\"0.6619318181818182\" data-s=\"300,640\" src=\"https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/06\/4_icbRm8HvTa0Cia9Fa2uXTECrNaWGzw.png?w=640\" onerror=\"this.src='https:\/\/mmbiz.qpic.cn\/sz_mmbiz_png\/zcicibWZessAySluCsI4g499lVRLKEdY2sZxPXDuQxrialjaVqlGp6ot3Yib8yicbRm8HvTa0Cia9Fa2uXTECrNaWGzw\/640?wx_fmt=png'\" data-type=\"png\" data-w=\"352\" style=\"\" data-recalc-dims=\"1\" \/><\/p>\n<p style=\"text-align: center;\"><img decoding=\"async\" class=\"rich_pages wxw-img\" data-galleryid=\"\" data-ratio=\"0.48500881834215165\" data-s=\"300,640\" src=\"https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/06\/5_ap3XM88PkibWVN0ia7YVCoiaDicgEQ.png?w=640\" onerror=\"this.src='https:\/\/mmbiz.qpic.cn\/sz_mmbiz_png\/zcicibWZessAySluCsI4g499lVRLKEdY2stibRLN634JEtiadhgx1sGTIiauRmmX5ap3XM88PkibWVN0ia7YVCoiaDicgEQ\/640?wx_fmt=png'\" data-type=\"png\" data-w=\"567\" style=\"\" data-recalc-dims=\"1\" \/><\/p>\n<p><br \/><\/p>\n<p><span style=\"font-family: \u5fae\u8f6f\u96c5\u9ed1;font-size: 14px;\">\u663e\u793a\u670929\u4e2a\u539f\u5b50atoms\u88ab\u5339\u914d\u4e86\uff0c\u8ba1\u7b97\u7684RMSD\u503c\u4e3a2.518A\u3002<o:p><\/o:p><\/span><\/p>\n<p><span style=\"font-family: \u5fae\u8f6f\u96c5\u9ed1;font-size: 14px;\">\u5c0f\u679c\u8fd8\u53ef\u4ee5\u5e26\u4f60\u4f7f\u7528python\u4e2d\u547d\u4ee4\u884c\u8ba1\u7b97RMSD<\/span><\/p>\n<p><span style=\"font-size: 12pt;font-family: \u5fae\u8f6f\u96c5\u9ed1;\"><br \/><\/span><\/p>\n<p><br \/><\/p>\n<\/section>\n<\/section>\n<\/section>\n<\/section>\n<section style=\"margin-bottom: 0px;padding-right: 15px;padding-left: 15px;outline: 0px;font-size: 14px;visibility: visible;\">\n<section style=\"padding-right: 15px;padding-left: 15px;outline: 0px;visibility: visible;\">\n<section class=\"code-snippet__fix code-snippet__js\">\n<ul class=\"code-snippet__line-index code-snippet__js\">\n<li><\/li>\n<li><\/li>\n<li><\/li>\n<li><\/li>\n<li><\/li>\n<li><\/li>\n<li><\/li>\n<li><\/li>\n<li><\/li>\n<li><\/li>\n<li><\/li>\n<li><\/li>\n<li><\/li>\n<li><\/li>\n<li><\/li>\n<\/ul>\n<pre class=\"code-snippet__js\" data-lang=\"python\"><code><span class=\"code-snippet_outer\">import pymolfrom pymol import cmd ##\u5bfc\u5165\u76f8\u5e94\u7684\u5305<\/span><\/code><code><span class=\"code-snippet_outer\"><br \/><\/span><\/code><code><span class=\"code-snippet_outer\">pymol.finish_launching() ##\u6253\u5f00Pymol\u8f6f\u4ef6<\/span><\/code><code><span class=\"code-snippet_outer\"><br \/><\/span><\/code><code><span class=\"code-snippet_outer\">cmd.load(\"protein.pdb\") ##\u52a0\u8f7d\u86cb\u767d\u8d28\u7ed3\u6784\u6587\u4ef6<\/span><\/code><code><span class=\"code-snippet_outer\"><br \/><\/span><\/code><code><span class=\"code-snippet_outer\">cmd.load(\"ligand.pdb\", \"ligand\") ##\u914d\u4f53\u7ed3\u6784\u52a0\u8f7d\u5230Pymol\u4e2d<\/span><\/code><code><span class=\"code-snippet_outer\"><br \/><\/span><\/code><code><span class=\"code-snippet_outer\">cmd.select(\"ligand_selection\", \"ligand\") ##\u5c06Pymol\u7684\u9009\u62e9\u7126\u70b9\u8bbe\u7f6e\u4e3a\u914d\u4f53\u3002<\/span><\/code><code><span class=\"code-snippet_outer\"><br \/><\/span><\/code><code><span class=\"code-snippet_outer\">cmd.load(\"reference.pdb\", \"reference\") ##\u9009\u62e9\u5e76\u52a0\u8f7d\u53c2\u8003\u7ed3\u6784\uff08\u53ef\u4ee5\u662f\u53e6\u4e00\u4e2a\u914d\u4f53\u7ed3\u6784\u6216\u86cb\u767d\u8d28\u7ed3\u6784\uff09<\/span><\/code><code><span class=\"code-snippet_outer\"><br \/><\/span><\/code><code><span class=\"code-snippet_outer\">rmsd = cmd.align(\"ligand_selection\", \"reference_selection\") ##\u6267\u884cRMSD\u8ba1\u7b97<\/span><\/code><code><span class=\"code-snippet_outer\"><br \/><\/span><\/code><code><span class=\"code-snippet_outer\">print(\"RMSD:\", rmsd)<\/span><\/code><\/pre>\n<\/section>\n<\/section>\n<\/section>\n<p style=\"margin-bottom: 0px;outline: 0px;visibility: visible;\"><br style=\"outline: 0px;font-family: system-ui, -apple-system, BlinkMacSystemFont, "Helvetica Neue", "PingFang SC", "Hiragino Sans GB", "Microsoft YaHei UI", "Microsoft YaHei", Arial, sans-serif;font-size: 16px;letter-spacing: 0.544px;text-wrap: wrap;background-color: rgb(255, 255, 255);visibility: visible;\" \/><\/p>\n<p><span style=\"font-family: \u5fae\u8f6f\u96c5\u9ed1;font-size: 14px;\">\u8fd9\u5c06\u8ba1\u7b97\u914d\u4f53\u4e0e\u53c2\u8003\u7ed3\u6784\u4e4b\u95f4\u7684RMSD\uff0c\u5e76\u5c06\u7ed3\u679c\u6253\u5370\u51fa\u6765\u3002<\/span><\/p>\n<p><br \/><\/p>\n<p><span style=\"text-decoration: underline;\"><strong><span style=\"text-decoration: underline;font-family: \u5fae\u8f6f\u96c5\u9ed1;font-size: 14px;color: rgb(0, 122, 170);\">\u52a0\u8f7d\u53c2\u8003\u7ed3\u6784\u662f\u4e3a\u4e86\u8ba1\u7b97\u914d\u4f53\u4e0e\u53c2\u8003\u7ed3\u6784\u4e4b\u95f4\u7684RMSD<\/span><\/strong><\/span><span style=\"font-family: \u5fae\u8f6f\u96c5\u9ed1;font-size: 14px;\">\u3002RMSD\u662f\u4e00\u79cd\u7528\u4e8e\u8861\u91cf\u4e24\u4e2a\u7ed3\u6784\u4e4b\u95f4\u7684\u7ed3\u6784\u76f8\u4f3c\u6027\u7684\u6307\u6807\uff0c\u5e38\u7528\u4e8e\u6bd4\u8f83\u86cb\u767d\u8d28\u7ed3\u6784\u6216\u914d\u4f53\u7ed3\u6784\u7684\u76f8\u4f3c\u6027\u3002\u901a\u8fc7\u52a0\u8f7d\u53c2\u8003\u7ed3\u6784\uff0c\u60a8\u53ef\u4ee5\u5c06\u5176\u4f5c\u4e3a\u4e00\u4e2a\u56fa\u5b9a\u7684\u7ed3\u6784\uff0c\u5c06\u914d\u4f53\u7ed3\u6784\u4e0e\u5176\u8fdb\u884c\u6bd4\u8f83\u3002\u8ba1\u7b97\u5f97\u5230\u7684RMSD\u503c\u8868\u793a\u914d\u4f53\u7ed3\u6784\u4e0e\u53c2\u8003\u7ed3\u6784\u4e4b\u95f4\u7684\u5747\u65b9\u6839\u504f\u5dee\uff0c\u5373\u5b83\u4eec\u4e4b\u95f4\u7684\u7ed3\u6784\u5dee\u5f02\u7a0b\u5ea6\u3002\u8f83\u4f4e\u7684RMSD\u503c\u8868\u793a\u7ed3\u6784\u4e4b\u95f4\u66f4\u76f8\u4f3c\uff0c\u800c\u8f83\u9ad8\u7684RMSD\u503c\u8868\u793a\u7ed3\u6784\u5dee\u5f02\u8f83\u5927\u3002<\/span><\/p>\n<p><br \/><\/p>\n<p style=\"margin-bottom: 0px;outline: 0px;font-family: system-ui, -apple-system, BlinkMacSystemFont, "Helvetica Neue", "PingFang SC", "Hiragino Sans GB", "Microsoft YaHei UI", "Microsoft YaHei", Arial, sans-serif;font-size: 16px;letter-spacing: 0.578px;text-wrap: wrap;background-color: rgb(255, 255, 255);\"><span style=\"outline: 0px;font-size: 14px;color: rgb(0, 122, 170);\">\u8fd9\u91cc\u63a8\u8350\u4e00\u4e0b\u5c0f\u679c\u65b0\u5f00\u53d1\u7684\u96f6\u4ee3\u7801\u4e91\u751f\u4fe1\u5206\u6790\u5de5\u5177\u5e73\u53f0\u5305\u542b\u8d85\u591a\u96f6\u4ee3\u7801\u5c0f\u5de5\u5177\uff0c\u4e0a\u4f20\u6570\u636e\u4e00\u952e\u51fa\u56fe\uff0c\u611f\u5174\u8da3\u7684\u5c0f\u4f19\u4f34\u6b22\u8fce\u4e86\u89e3~<\/span><\/p>\n<p style=\"margin-bottom: 0px;outline: 0px;font-family: system-ui, -apple-system, BlinkMacSystemFont, "Helvetica Neue", "PingFang SC", "Hiragino Sans GB", "Microsoft YaHei UI", "Microsoft YaHei", Arial, sans-serif;font-size: 16px;letter-spacing: 0.578px;text-wrap: wrap;background-color: rgb(255, 255, 255);\"><span style=\"outline: 0px;font-size: 14px;color: rgb(0, 122, 170);\">\u7f51\u5740\uff1ahttp:\/\/www.biocloudservice.com\/home.html<\/span><\/p>\n<section style=\"font-size: 16px;\">\n<section data-id=\"75061\" data-type=\"lspecial02\" data-tools=\"\u901f\u6392\u5c0f\u8682\u8681\u7f16\u8f91\u5668\" powered-by=\"xmyeditor.com\" data-md5=\"83a15\">\n<p><span style=\"font-size: 14px;\">\u4eca\u5929\u5c0f\u679c\u7684\u5206\u4eab\u5c31\u5230\u8fd9\u91cc\uff0c\u6b22\u8fce\u5927\u5bb6\u548c\u5c0f\u679c\u4e00\u8d77\u8ba8\u8bba\u5b66\u4e60\uff0c\u4e0b\u671f\u518d\u89c1\u54e6\uff01<\/span><\/p>\n<\/section>\n<\/section>\n<\/section>\n<section style=\"outline: 0px;visibility: visible;\">\n<section data-role=\"list\" style=\"outline: 0px;visibility: visible;\">\n<section style=\"outline: 0px;visibility: visible;\">\n<section powered-by=\"xiumi.us\" style=\"outline: 0px;visibility: visible;\">\n<section style=\"outline: 0px;visibility: visible;\">\n<section style=\"padding-right: 15px;padding-left: 15px;outline: 0px;font-size: 14px;\">\n<section powered-by=\"xiumi.us\" style=\"outline: 0px;height: auto;transform: perspective(0px);transform-style: flat;\">\n<section style=\"margin-top: 10px;margin-bottom: -3px;outline: 0px;text-align: left;justify-content: flex-start;display: flex;flex-flow: row nowrap;transform: translate3d(19px, 0px, 0px) rotateX(180deg);\">\n<section style=\"outline: 0px;display: inline-block;vertical-align: top;width: auto;align-self: flex-start;flex: 0 0 auto;min-width: 5%;height: auto;\">\n<section powered-by=\"xiumi.us\" style=\"outline: 0px;text-align: center;\">\n<section style=\"outline: 0px;display: inline-block;width: 6px;height: 6px;vertical-align: top;overflow: hidden;border-radius: 230px;background-color: rgb(217, 217, 217);\">\n<section powered-by=\"xiumi.us\" style=\"outline: 0px;text-align: justify;\">\n<p style=\"outline: 0px;\"><br style=\"outline: 0px;\" \/><\/p>\n<\/section>\n<\/section>\n<\/section>\n<\/section>\n<section style=\"outline: 0px;display: inline-block;vertical-align: top;width: auto;align-self: flex-start;flex: 0 0 auto;min-width: 5%;height: auto;\">\n<section powered-by=\"xiumi.us\" style=\"outline: 0px;text-align: center;\">\n<section style=\"outline: 0px;display: inline-block;width: 6px;height: 6px;vertical-align: top;overflow: hidden;border-radius: 230px;background-color: rgb(217, 217, 217);\">\n<section powered-by=\"xiumi.us\" style=\"outline: 0px;text-align: justify;\">\n<p style=\"outline: 0px;\"><br style=\"outline: 0px;\" \/><\/p>\n<\/section>\n<\/section>\n<\/section>\n<\/section>\n<section style=\"outline: 0px;display: inline-block;vertical-align: top;width: auto;align-self: flex-start;flex: 0 0 auto;min-width: 5%;height: auto;\">\n<section powered-by=\"xiumi.us\" style=\"outline: 0px;text-align: center;\">\n<section style=\"outline: 0px;display: inline-block;width: 6px;height: 6px;vertical-align: top;overflow: hidden;border-radius: 230px;background-color: rgb(217, 217, 217);\">\n<section powered-by=\"xiumi.us\" style=\"outline: 0px;text-align: justify;\">\n<p style=\"outline: 0px;\"><br style=\"outline: 0px;\" \/><\/p>\n<\/section>\n<\/section>\n<\/section>\n<\/section>\n<\/section>\n<\/section>\n<section powered-by=\"xiumi.us\" style=\"margin-bottom: 10px;outline: 0px;text-align: left;justify-content: flex-start;display: flex;flex-flow: row nowrap;\">\n<section style=\"padding: 14px 10px;outline: 0px;display: inline-block;width: 647px;vertical-align: top;align-self: flex-start;flex: 0 0 auto;border-style: solid;border-width: 1px;border-color: rgb(217, 217, 217);\">\n<section powered-by=\"xiumi.us\" style=\"margin-top: 10px;margin-bottom: 15px;outline: 0px;justify-content: flex-start;display: flex;flex-flow: row nowrap;\">\n<section style=\"padding-left: 9px;outline: 0px;display: inline-block;width: 625px;vertical-align: top;align-self: flex-start;flex: 0 0 auto;border-style: solid;border-width: 0px 0px 0px 12px;border-left-color: rgb(212, 32, 2);\">\n<section powered-by=\"xiumi.us\" style=\"outline: 0px;text-align: justify;font-size: 17px;color: rgb(62, 62, 62);\">\n<p style=\"outline: 0px;\"><strong style=\"outline: 0px;\">\u5c0f\u679c\u53cb\u60c5\u63a8\u8350<\/strong><\/p>\n<\/section>\n<section powered-by=\"xiumi.us\" style=\"margin-top: 3px;outline: 0px;\">\n<section style=\"outline: 0px;background-color: rgb(217, 217, 217);height: 1px;\"><svg viewbox=\"0 0 1 1\" style=\"float:left;line-height:0;width:0;vertical-align:top;\"><\/svg><\/section>\n<\/section>\n<section powered-by=\"xiumi.us\" style=\"outline: 0px;text-align: justify;font-size: 11px;color: rgb(62, 62, 62);\">\n<p style=\"outline: 0px;\">\u597d\u7528\u53c8\u514d\u8d39\u7684\u5de5\u5177\u5b89\u5229<\/p>\n<\/section>\n<\/section>\n<\/section>\n<section powered-by=\"xiumi.us\" style=\"margin-top: 10px;margin-bottom: 10px;outline: 0px;text-align: center;line-height: 0;\">\n<section style=\"outline: 0px;vertical-align: middle;display: inline-block;line-height: 0;\"><img decoding=\"async\" class=\"rich_pages wxw-img\" data-ratio=\"0.35777777777777775\" src=\"https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/06\/6_eVibso6VJox4Hnic0n53VnLS1A9qYA-2.jpg?w=640\" onerror=\"this.src='https:\/\/mmbiz.qpic.cn\/sz_mmbiz_jpg\/zcicibWZessAyqVJd7As6iaIgTzXqErqUGpoEpMoWhEkVHHw4z3ZmlYpZZUX7eVibso6VJox4Hnic0n53VnLS1A9qYA\/640?wx_fmt=jpeg&wxfrom=5&wx_lazy=1&wx_co=1'\" data-type=\"jpeg\" data-w=\"900\" style=\"outline: 0px;vertical-align: middle;width: 625px;visibility: visible !important;\" data-recalc-dims=\"1\" \/><\/section>\n<\/section>\n<section powered-by=\"xiumi.us\" style=\"margin-top: 10px;margin-bottom: 10px;outline: 0px;text-align: center;line-height: 0;\">\n<section style=\"outline: 0px;vertical-align: middle;display: inline-block;line-height: 0;\"><img decoding=\"async\" class=\"rich_pages wxw-img\" data-ratio=\"0.35361653272101035\" src=\"https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/06\/7_UwKXVVrT2bVTc2jSlZNaUIE5TUCDMQ-2.jpg?w=640\" onerror=\"this.src='https:\/\/mmbiz.qpic.cn\/sz_mmbiz_jpg\/zcicibWZessAyqVJd7As6iaIgTzXqErqUGp8QxUSk0Sricia0JSmh8nB9T4SicUwKXVVrT2bVTc2jSlZNaUIE5TUCDMQ\/640?wx_fmt=jpeg&wxfrom=5&wx_lazy=1&wx_co=1'\" data-type=\"jpeg\" data-w=\"871\" style=\"outline: 0px;vertical-align: middle;width: 625px;visibility: visible !important;\" data-recalc-dims=\"1\" \/><\/section>\n<\/section>\n<section powered-by=\"xiumi.us\" style=\"margin-top: 10px;margin-bottom: 10px;outline: 0px;text-align: center;line-height: 0;\">\n<section style=\"outline: 0px;vertical-align: middle;display: inline-block;line-height: 0;\"><a target=\"_blank\" href=\"https:\/\/mp.weixin.qq.com\/s?__biz=MzAwNjE0MDY3MQ==&mid=2650761303&idx=2&sn=6f73471d1e82c56c0b2160d0fcd32d53&scene=21#wechat_redirect\" textvalue=\"\u4f60\u5df2\u9009\u4e2d\u4e86\u6dfb\u52a0\u94fe\u63a5\u7684\u5185\u5bb9\" linktype=\"text\" imgurl=\"\" imgdata=\"null\" tab=\"innerlink\" data-linktype=\"1\" rel=\"noopener\"><span class=\"js_jump_icon h5_image_link\" style=\"outline: 0px;line-height: 0;vertical-align: bottom;user-select: none;\"><img decoding=\"async\" class=\"rich_pages wxw-img\" data-ratio=\"0.36333333333333334\" src=\"https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/06\/8_IHSYtLyxwVWxiaf2v2rQdOnoz05G6A-2.jpg?w=640\" onerror=\"this.src='https:\/\/mmbiz.qpic.cn\/sz_mmbiz_jpg\/zcicibWZessAyqVJd7As6iaIgTzXqErqUGp9ZZibzJmVhqwxDqOgC1Tdmh7VxIHSYtLyxwVWxiaf2v2rQdOnoz05G6A\/640?wx_fmt=jpeg&wxfrom=5&wx_lazy=1&wx_co=1'\" data-type=\"jpeg\" data-w=\"900\" style=\"outline: 0px;border-width: 0px;border-style: initial;border-color: initial;vertical-align: middle;width: 625px;visibility: visible !important;\" data-recalc-dims=\"1\" \/><\/span><\/a><\/section>\n<p><span style=\"text-align: justify;letter-spacing: 0.5px;text-indent: 0em;color: rgb(0, 150, 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{"id":58053,"date":"2024-06-16T22:19:35","date_gmt":"2024-06-16T14:19:35","guid":{"rendered":"http:\/\/www.biocloudservice.com\/wordpress\/?p=58053"},"modified":"2024-06-16T22:19:35","modified_gmt":"2024-06-16T14:19:35","slug":"%e4%b8%80%e5%88%86%e9%92%9f%ef%bc%8c%e6%95%99%e4%bd%a0%e7%94%a8pymol%e8%ae%a1%e7%ae%97%e9%85%8d%e4%bd%93%e7%9a%84rmsd%ef%bc%81","status":"publish","type":"post","link":"http:\/\/www.biocloudservice.com\/wordpress\/?p=58053","title":{"rendered":"\u4e00\u5206\u949f\uff0c\u6559\u4f60\u7528pymol\u8ba1\u7b97\u914d\u4f53\u7684RMSD\uff01"},"content":{"rendered":"

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inline-block;vertical-align: middle;\" powered-by=\"xiumi.us\">\n<section style=\"line-height: 0;\">\n<section style=\"width: 111px;\" powered-by=\"xiumi.us\">\n<section style=\"line-height: 1.75em;text-indent: 0em;\">\n<section style=\"vertical-align: middle;display: inline-block;line-height: 0;height: auto;width: 111px;\"><img decoding=\"async\" class=\"rich_pages wxw-img\" data-ratio=\"1\" src=\"https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/06\/1_GBhsibRAgNiaQsH4ichdP9ibEhHMFA-101.png?w=640\" onerror=\"this.src='https:\/\/mmbiz.qpic.cn\/sz_mmbiz_png\/zcicibWZessAyL6u7wJswOp8vtpzGp6vYngnlT6jiavu08Bvp2iblzGf3IkoBD9NGBhsibRAgNiaQsH4ichdP9ibEhHMFA\/640?wx_fmt=png'\" data-type=\"png\" data-w=\"400\" style=\"vertical-align: middle;width: 100%;\" data-recalc-dims=\"1\"><\/section>\n<\/section>\n<\/section>\n<\/section>\n<\/section>\n<\/section>\n<\/section>\n<\/section>\n<\/section>\n<\/section>\n<\/section>\n<\/section>\n<p style=\"text-indent: 0em;line-height: 1.75em;\"><br \/><\/p>\n<\/section>\n<\/section>\n<\/section>\n<\/section>\n<\/section>\n<\/section>\n<\/section>\n<\/section>\n<\/section>\n<\/section>\n<section data-role=\"list\" style=\"\">\n<section style=\"\">\n<section powered-by=\"xiumi.us\" style=\"font-size: 16px;margin-top: 10px;margin-bottom: 8px;text-align: left;justify-content: flex-start;display: flex;flex-flow: row nowrap;\">\n<section style=\"padding-left: 8px;display: inline-block;width: 578px;vertical-align: top;border-left: 3px solid rgb(219, 219, 219);border-bottom-left-radius: 0px;align-self: flex-start;flex: 0 0 auto;\">\n<section powered-by=\"xiumi.us\" style=\"color: rgba(0, 0, 0, 0.5);text-align: justify;\">\n<p><span style=\"font-family: \u5fae\u8f6f\u96c5\u9ed1;font-size: 14px;\">\u4eca\u5929\u6211\u4eec\u6765\u5b66\u4e60\u4e00\u4e0b\u914d\u4f53\u5c0f\u5206\u5b50\u7684RMSD\u5982\u4f55\u8ba1\u7b97\u67e5\u770b\u3002<\/span><\/p>\n<\/section>\n<\/section>\n<\/section>\n<section powered-by=\"xiumi.us\" style=\"\">\n<section style=\"\">\n<section powered-by=\"xiumi.us\" style=\"\">\n<section style=\"\">\n<section powered-by=\"xiumi.us\" style=\"\">\n<section style=\"\">\n<section powered-by=\"xiumi.us\" style=\"\">\n<p style=\"font-size: 16px;white-space: normal;\"><br \/><\/p>\n<p><span style=\"font-family: \u5fae\u8f6f\u96c5\u9ed1;font-size: 14px;\">\u5728\u52a8\u529b\u5b66\u6a21\u62df\u5206\u6790\u4e2d,\u5f88\u57fa\u672c\u7684\u4e00\u9879\u5206\u6790\u5c31\u662fRMSD\u503c\u7684\u6c42\u7b97\u3002<\/span><span style=\"font-family: \u5fae\u8f6f\u96c5\u9ed1;font-size: 14px;text-decoration: underline;\"><strong><span style=\"text-decoration: underline;font-family: \u5fae\u8f6f\u96c5\u9ed1;font-size: 14px;color: rgb(0, 122, 170);\">RMSD\u503c\u5373\u5747\u65b9\u6839\u504f\u5dee\uff08Root Mean Square Deviation\uff09<\/span><\/strong><\/span><span style=\"font-family: \u5fae\u8f6f\u96c5\u9ed1;font-size: 14px;\">\u3002\u5728\u7edf\u8ba1\u5b66\u4e0a\uff0c\u8fd9\u4e2a\u91cf\u5c31\u76f8\u5f53\u4e8e\u6807\u51c6\u5dee,\u53cd\u6620\u7684\u662f\u6570\u636e\u504f\u79bb\u5e73\u5747\u503c\u7684\u7a0b\u5ea6\u3002\u5728\u86cb\u767d\u8d28\u7ed3\u6784\u89e3\u6790\uff0c\u6a21\u5efa\uff0c\u7ed3\u6784\u8054\u914d(structure alignment\uff09\u4ee5\u53ca\u5206\u5b50\u52a8\u529b\u5b66\u6a21\u62df\u4e2d\uff0cRMSD\u503c\u662f\u975e\u5e38\u5e38\u7528\u7684\u4e00\u9879\u53c2\u6570,\u7528\u4e8e\u8861\u91cf\u539f\u5b50\u504f\u79bb\u6bd4\u5bf9\u4f4d\u7f6e\u7684\u7a0b\u5ea6\u3002<\/span><span style=\"mso-spacerun:'yes';font-family:\u5fae\u8f6f\u96c5\u9ed1;font-size:12.0000pt;mso-font-kerning:1.0000pt;\"><o:p><\/o:p><\/span><\/p>\n<p><span style=\"font-family: \u5fae\u8f6f\u96c5\u9ed1;font-size: 14px;\">\u4eca\u5929\u6211\u4eec\u6765\u5b66\u4e60\u4e00\u4e0b\u914d\u4f53\u5c0f\u5206\u5b50\u7684RMSD\u5982\u4f55\u8ba1\u7b97\u67e5\u770b<\/span><\/p>\n<section class=\"channels_iframe_wrp\"><mp-common-videosnap class=\"js_uneditable custom_select_card channels_live_iframe\" data-pluginname=\"mpvideosnap\" data-headimgurl=\"https:\/\/wx.qlogo.cn\/finderhead\/DX68kVlzcbz8hx9HMoThqGJzT37Slibt5l9fBMMKy3pg\/0\" data-username=\"v2_060000231003b20faec8c7e38019c0d4cc02ec33b077ef3bc1e59b4a7f53fd21ec5cd455628a@finder\" data-nickname=\"\u4e91\u751f\u4fe1\u5b66\u751f\u7269\u4fe1\u606f\u5b66\" data-desc=\"\u5c06\u572808\u670801\u65e5 15:00 \u76f4\u64ad\" data-livewording=\"\u9884\u7ea6\" data-intro=\"\u8ddf\u7740nature\u5b66\u7ed8\u56fe\uff0c\u6709\u624b\u5c31\u884cChiplot\u96f6\u4ee3\u7801\u7ed8\u5236\u65f6\u95f4\u5206\u6b67\u6811&\u5e26\u8272\u5757\u805a\u7c7b\u70ed\u56fe\" data-type=\"live\" data-status=\"0\" data-noticeid=\"finderlivenotice-v2_060000231003b20faec8c7e38019c0d4cc02ec33b077ef3bc1e59b4a7f53fd21ec5cd455628a@finder-1690162760537124-1147360090\"><\/mp-common-videosnap><\/section>\n<p><strong style=\"letter-spacing: 1px;font-size: 16px;color: rgb(0, 122, 170);\"><\/strong><\/p>\n<p><span style=\"font-family: \u5fae\u8f6f\u96c5\u9ed1;font-size: 14px;\">1.\u9996\u5148\u6211\u4eec\u4f7f\u7528pymol\uff0c\u9009\u62e9\u4e00\u6b21\u5bf9\u63a5\u7ed3\u679c\u4e2d\u53d7\u4f53\u548c\u914d\u4f53\u7684pdbqt\u6587\u4ef6\uff0c\u5206\u522b\u6253\u5f00\u3002File->open<\/span><span style=\"mso-spacerun:'yes';font-family:\u5fae\u8f6f\u96c5\u9ed1;font-size:12.0000pt;mso-font-kerning:1.0000pt;\"><o:p><\/o:p><\/span><\/p>\n<section style=\"\">\n<section style=\"\">\n<section style=\"margin-bottom: 0px;padding-right: 15px;padding-left: 15px;outline: 0px;font-size: 14px;visibility: visible;\">\n<section style=\"padding-right: 15px;padding-left: 15px;outline: 0px;visibility: visible;\">\n<p style=\"text-align: center;\"><img decoding=\"async\" class=\"rich_pages wxw-img\" data-galleryid=\"\" data-ratio=\"0.08959537572254335\" data-s=\"300,640\" src=\"https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/06\/2_VKynCjPdslFXQ9p82I9kbKBUJ2H0xQ.png?w=640\" onerror=\"this.src='https:\/\/mmbiz.qpic.cn\/sz_mmbiz_png\/zcicibWZessAySluCsI4g499lVRLKEdY2sWQJzlyPyPzNeYyHFU8D8JVNwVKynCjPdslFXQ9p82I9kbKBUJ2H0xQ\/640?wx_fmt=png'\" data-type=\"png\" data-w=\"692\" style=\"\" data-recalc-dims=\"1\" \/><\/p>\n<p><br \/><\/p>\n<p style=\"text-align: center;\"><img decoding=\"async\" class=\"rich_pages wxw-img\" data-galleryid=\"\" data-ratio=\"0.37329700272479566\" data-s=\"300,640\" src=\"https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/06\/3_GEaoOdotPerMf5ExDu6GuoKBpSCrZA.png?w=640\" onerror=\"this.src='https:\/\/mmbiz.qpic.cn\/sz_mmbiz_png\/zcicibWZessAySluCsI4g499lVRLKEdY2ssIGITCn3CY6AeQau0IevatSUGEaoOdotPerMf5ExDu6GuoKBpSCrZA\/640?wx_fmt=png'\" data-type=\"png\" data-w=\"367\" style=\"\" data-recalc-dims=\"1\" \/><\/p>\n<p style=\"text-align: justify;\"><br \/><\/p>\n<p style=\"text-align: justify;\"><span style=\"font-family: \u5fae\u8f6f\u96c5\u9ed1;letter-spacing: 0.578px;text-align: justify;text-indent: 0em;font-size: 14px;\">2.\u7136\u540e\u6211\u4eec\u5728\u547d\u4ee4\u680f\u8f93\u5165align grid\uff0cCID101238141\u6309\u56de\u8f66<\/span><\/p>\n<p style=\"text-align: center;\"><img decoding=\"async\" class=\"rich_pages wxw-img\" data-galleryid=\"\" data-ratio=\"0.6619318181818182\" data-s=\"300,640\" src=\"https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/06\/4_icbRm8HvTa0Cia9Fa2uXTECrNaWGzw.png?w=640\" onerror=\"this.src='https:\/\/mmbiz.qpic.cn\/sz_mmbiz_png\/zcicibWZessAySluCsI4g499lVRLKEdY2sZxPXDuQxrialjaVqlGp6ot3Yib8yicbRm8HvTa0Cia9Fa2uXTECrNaWGzw\/640?wx_fmt=png'\" data-type=\"png\" data-w=\"352\" style=\"\" data-recalc-dims=\"1\" \/><\/p>\n<p style=\"text-align: center;\"><img decoding=\"async\" class=\"rich_pages wxw-img\" data-galleryid=\"\" data-ratio=\"0.48500881834215165\" data-s=\"300,640\" src=\"https:\/\/i0.wp.com\/www.biocloudservice.com\/wordpress\/wp-content\/uploads\/2024\/06\/5_ap3XM88PkibWVN0ia7YVCoiaDicgEQ.png?w=640\" onerror=\"this.src='https:\/\/mmbiz.qpic.cn\/sz_mmbiz_png\/zcicibWZessAySluCsI4g499lVRLKEdY2stibRLN634JEtiadhgx1sGTIiauRmmX5ap3XM88PkibWVN0ia7YVCoiaDicgEQ\/640?wx_fmt=png'\" data-type=\"png\" data-w=\"567\" style=\"\" data-recalc-dims=\"1\" \/><\/p>\n<p><br \/><\/p>\n<p><span style=\"font-family: \u5fae\u8f6f\u96c5\u9ed1;font-size: 14px;\">\u663e\u793a\u670929\u4e2a\u539f\u5b50atoms\u88ab\u5339\u914d\u4e86\uff0c\u8ba1\u7b97\u7684RMSD\u503c\u4e3a2.518A\u3002<o:p><\/o:p><\/span><\/p>\n<p><span style=\"font-family: \u5fae\u8f6f\u96c5\u9ed1;font-size: 14px;\">\u5c0f\u679c\u8fd8\u53ef\u4ee5\u5e26\u4f60\u4f7f\u7528python\u4e2d\u547d\u4ee4\u884c\u8ba1\u7b97RMSD<\/span><\/p>\n<p><span style=\"font-size: 12pt;font-family: \u5fae\u8f6f\u96c5\u9ed1;\"><br \/><\/span><\/p>\n<p><br \/><\/p>\n<\/section>\n<\/section>\n<\/section>\n<\/section>\n<section style=\"margin-bottom: 0px;padding-right: 15px;padding-left: 15px;outline: 0px;font-size: 14px;visibility: visible;\">\n<section style=\"padding-right: 15px;padding-left: 15px;outline: 0px;visibility: visible;\">\n<section class=\"code-snippet__fix code-snippet__js\">\n<ul class=\"code-snippet__line-index code-snippet__js\">\n<li><\/li>\n<li><\/li>\n<li><\/li>\n<li><\/li>\n<li><\/li>\n<li><\/li>\n<li><\/li>\n<li><\/li>\n<li><\/li>\n<li><\/li>\n<li><\/li>\n<li><\/li>\n<li><\/li>\n<li><\/li>\n<li><\/li>\n<\/ul>\n<pre class=\"code-snippet__js\" data-lang=\"python\"><code><span class=\"code-snippet_outer\">import pymolfrom pymol import cmd ##\u5bfc\u5165\u76f8\u5e94\u7684\u5305<\/span><\/code><code><span class=\"code-snippet_outer\"><br \/><\/span><\/code><code><span class=\"code-snippet_outer\">pymol.finish_launching() ##\u6253\u5f00Pymol\u8f6f\u4ef6<\/span><\/code><code><span class=\"code-snippet_outer\"><br \/><\/span><\/code><code><span class=\"code-snippet_outer\">cmd.load(\"protein.pdb\") ##\u52a0\u8f7d\u86cb\u767d\u8d28\u7ed3\u6784\u6587\u4ef6<\/span><\/code><code><span class=\"code-snippet_outer\"><br \/><\/span><\/code><code><span class=\"code-snippet_outer\">cmd.load(\"ligand.pdb\", \"ligand\") ##\u914d\u4f53\u7ed3\u6784\u52a0\u8f7d\u5230Pymol\u4e2d<\/span><\/code><code><span class=\"code-snippet_outer\"><br \/><\/span><\/code><code><span class=\"code-snippet_outer\">cmd.select(\"ligand_selection\", \"ligand\") ##\u5c06Pymol\u7684\u9009\u62e9\u7126\u70b9\u8bbe\u7f6e\u4e3a\u914d\u4f53\u3002<\/span><\/code><code><span class=\"code-snippet_outer\"><br \/><\/span><\/code><code><span class=\"code-snippet_outer\">cmd.load(\"reference.pdb\", \"reference\") ##\u9009\u62e9\u5e76\u52a0\u8f7d\u53c2\u8003\u7ed3\u6784\uff08\u53ef\u4ee5\u662f\u53e6\u4e00\u4e2a\u914d\u4f53\u7ed3\u6784\u6216\u86cb\u767d\u8d28\u7ed3\u6784\uff09<\/span><\/code><code><span class=\"code-snippet_outer\"><br \/><\/span><\/code><code><span class=\"code-snippet_outer\">rmsd = cmd.align(\"ligand_selection\", \"reference_selection\") ##\u6267\u884cRMSD\u8ba1\u7b97<\/span><\/code><code><span class=\"code-snippet_outer\"><br \/><\/span><\/code><code><span class=\"code-snippet_outer\">print(\"RMSD:\", rmsd)<\/span><\/code><\/pre>\n<\/section>\n<\/section>\n<\/section>\n<p style=\"margin-bottom: 0px;outline: 0px;visibility: visible;\"><br style=\"outline: 0px;font-family: system-ui, -apple-system, BlinkMacSystemFont, "Helvetica Neue", "PingFang SC", "Hiragino Sans GB", "Microsoft YaHei UI", "Microsoft YaHei", Arial, sans-serif;font-size: 16px;letter-spacing: 0.544px;text-wrap: wrap;background-color: rgb(255, 255, 255);visibility: visible;\" \/><\/p>\n<p><span style=\"font-family: \u5fae\u8f6f\u96c5\u9ed1;font-size: 14px;\">\u8fd9\u5c06\u8ba1\u7b97\u914d\u4f53\u4e0e\u53c2\u8003\u7ed3\u6784\u4e4b\u95f4\u7684RMSD\uff0c\u5e76\u5c06\u7ed3\u679c\u6253\u5370\u51fa\u6765\u3002<\/span><\/p>\n<p><br \/><\/p>\n<p><span style=\"text-decoration: underline;\"><strong><span style=\"text-decoration: underline;font-family: \u5fae\u8f6f\u96c5\u9ed1;font-size: 14px;color: rgb(0, 122, 170);\">\u52a0\u8f7d\u53c2\u8003\u7ed3\u6784\u662f\u4e3a\u4e86\u8ba1\u7b97\u914d\u4f53\u4e0e\u53c2\u8003\u7ed3\u6784\u4e4b\u95f4\u7684RMSD<\/span><\/strong><\/span><span style=\"font-family: \u5fae\u8f6f\u96c5\u9ed1;font-size: 14px;\">\u3002RMSD\u662f\u4e00\u79cd\u7528\u4e8e\u8861\u91cf\u4e24\u4e2a\u7ed3\u6784\u4e4b\u95f4\u7684\u7ed3\u6784\u76f8\u4f3c\u6027\u7684\u6307\u6807\uff0c\u5e38\u7528\u4e8e\u6bd4\u8f83\u86cb\u767d\u8d28\u7ed3\u6784\u6216\u914d\u4f53\u7ed3\u6784\u7684\u76f8\u4f3c\u6027\u3002\u901a\u8fc7\u52a0\u8f7d\u53c2\u8003\u7ed3\u6784\uff0c\u60a8\u53ef\u4ee5\u5c06\u5176\u4f5c\u4e3a\u4e00\u4e2a\u56fa\u5b9a\u7684\u7ed3\u6784\uff0c\u5c06\u914d\u4f53\u7ed3\u6784\u4e0e\u5176\u8fdb\u884c\u6bd4\u8f83\u3002\u8ba1\u7b97\u5f97\u5230\u7684RMSD\u503c\u8868\u793a\u914d\u4f53\u7ed3\u6784\u4e0e\u53c2\u8003\u7ed3\u6784\u4e4b\u95f4\u7684\u5747\u65b9\u6839\u504f\u5dee\uff0c\u5373\u5b83\u4eec\u4e4b\u95f4\u7684\u7ed3\u6784\u5dee\u5f02\u7a0b\u5ea6\u3002\u8f83\u4f4e\u7684RMSD\u503c\u8868\u793a\u7ed3\u6784\u4e4b\u95f4\u66f4\u76f8\u4f3c\uff0c\u800c\u8f83\u9ad8\u7684RMSD\u503c\u8868\u793a\u7ed3\u6784\u5dee\u5f02\u8f83\u5927\u3002<\/span><\/p>\n<p><br \/><\/p>\n<p style=\"margin-bottom: 0px;outline: 0px;font-family: system-ui, -apple-system, BlinkMacSystemFont, "Helvetica Neue", "PingFang SC", "Hiragino Sans GB", "Microsoft YaHei UI", "Microsoft YaHei", Arial, sans-serif;font-size: 16px;letter-spacing: 0.578px;text-wrap: wrap;background-color: rgb(255, 255, 255);\"><span style=\"outline: 0px;font-size: 14px;color: rgb(0, 122, 170);\">\u8fd9\u91cc\u63a8\u8350\u4e00\u4e0b\u5c0f\u679c\u65b0\u5f00\u53d1\u7684\u96f6\u4ee3\u7801\u4e91\u751f\u4fe1\u5206\u6790\u5de5\u5177\u5e73\u53f0\u5305\u542b\u8d85\u591a\u96f6\u4ee3\u7801\u5c0f\u5de5\u5177\uff0c\u4e0a\u4f20\u6570\u636e\u4e00\u952e\u51fa\u56fe\uff0c\u611f\u5174\u8da3\u7684\u5c0f\u4f19\u4f34\u6b22\u8fce\u4e86\u89e3~<\/span><\/p>\n<p style=\"margin-bottom: 0px;outline: 0px;font-family: system-ui, -apple-system, BlinkMacSystemFont, "Helvetica Neue", "PingFang SC", "Hiragino Sans GB", "Microsoft YaHei UI", "Microsoft YaHei", Arial, sans-serif;font-size: 16px;letter-spacing: 0.578px;text-wrap: wrap;background-color: rgb(255, 255, 255);\"><span style=\"outline: 0px;font-size: 14px;color: rgb(0, 122, 170);\">\u7f51\u5740\uff1ahttp:\/\/www.biocloudservice.com\/home.html<\/span><\/p>\n<section style=\"font-size: 16px;\">\n<section data-id=\"75061\" data-type=\"lspecial02\" data-tools=\"\u901f\u6392\u5c0f\u8682\u8681\u7f16\u8f91\u5668\" powered-by=\"xmyeditor.com\" data-md5=\"83a15\">\n<p><span style=\"font-size: 14px;\">\u4eca\u5929\u5c0f\u679c\u7684\u5206\u4eab\u5c31\u5230\u8fd9\u91cc\uff0c\u6b22\u8fce\u5927\u5bb6\u548c\u5c0f\u679c\u4e00\u8d77\u8ba8\u8bba\u5b66\u4e60\uff0c\u4e0b\u671f\u518d\u89c1\u54e6\uff01<\/span><\/p>\n<\/section>\n<\/section>\n<\/section>\n<section style=\"outline: 0px;visibility: visible;\">\n<section data-role=\"list\" style=\"outline: 0px;visibility: visible;\">\n<section style=\"outline: 0px;visibility: visible;\">\n<section powered-by=\"xiumi.us\" style=\"outline: 0px;visibility: visible;\">\n<section style=\"outline: 0px;visibility: visible;\">\n<section style=\"padding-right: 15px;padding-left: 15px;outline: 0px;font-size: 14px;\">\n<section powered-by=\"xiumi.us\" style=\"outline: 0px;height: auto;transform: perspective(0px);transform-style: flat;\">\n<section style=\"margin-top: 10px;margin-bottom: -3px;outline: 0px;text-align: left;justify-content: flex-start;display: flex;flex-flow: row nowrap;transform: translate3d(19px, 0px, 0px) rotateX(180deg);\">\n<section style=\"outline: 0px;display: inline-block;vertical-align: top;width: auto;align-self: flex-start;flex: 0 0 auto;min-width: 5%;height: auto;\">\n<section powered-by=\"xiumi.us\" style=\"outline: 0px;text-align: center;\">\n<section style=\"outline: 0px;display: inline-block;width: 6px;height: 6px;vertical-align: top;overflow: hidden;border-radius: 230px;background-color: rgb(217, 217, 217);\">\n<section powered-by=\"xiumi.us\" style=\"outline: 0px;text-align: justify;\">\n<p style=\"outline: 0px;\"><br style=\"outline: 0px;\" \/><\/p>\n<\/section>\n<\/section>\n<\/section>\n<\/section>\n<section style=\"outline: 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