{"id":31380,"date":"2026-02-02T21:05:53","date_gmt":"2026-02-02T13:05:53","guid":{"rendered":"https:\/\/www.momorj.com\/?p=31380"},"modified":"2026-02-02T21:05:53","modified_gmt":"2026-02-02T13:05:53","slug":"autodock%e5%88%86%e5%ad%90%e5%af%b9%e6%8e%a5%e5%b7%a5%e5%85%b7%e5%ae%89%e8%a3%85%e5%8c%85%e4%b8%8b%e8%bd%bd%e5%ae%89%e8%a3%85%e9%85%8d%e7%bd%ae%e6%95%99%e7%a8%8b","status":"publish","type":"post","link":"https:\/\/www.momorj.com\/?p=31380","title":{"rendered":"AutoDock\u5206\u5b50\u5bf9\u63a5\u5de5\u5177\u5b89\u88c5\u5305\u4e0b\u8f7d\u5b89\u88c5\u914d\u7f6e\u6559\u7a0b"},"content":{"rendered":"
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AutoDock\u662f\u4e00\u4e2a\u7528\u4e8e\u5206\u5b50\u5bf9\u63a5\u7684\u5f00\u6e90\u8f6f\u4ef6\uff0c\u5b83\u53ef\u4ee5\u9884\u6d4b\u751f\u7269\u5927\u5206\u5b50\uff08\u5982\u86cb\u767d\u8d28\u548c\u6838\u9178\uff09\u548c\u5c0f\u5206\u5b50\uff08\u5982\u5e95\u7269\u3001\u6291\u5236\u5242\u3001\u836f\u7269\u7b49\uff09\u4e4b\u95f4\u7684\u76f8\u4e92\u4f5c\u7528\u3002AutoDock\u901a\u8fc7\u6a21\u62df\u5206\u5b50\u95f4\u7684\u76f8\u4e92\u4f5c\u7528\uff0c\u53ef\u4ee5\u9884\u6d4b\u51fa\u5c0f\u5206\u5b50\u5728\u751f\u7269\u5927\u5206\u5b50\u4e2d\u7684\u7ed3\u5408\u4f4d\u7f6e\u3001\u7ed3\u5408\u80fd\u91cf\u4ee5\u53ca\u7ed3\u5408\u6784\u8c61\u7b49\u3002AutoDock\u8f6f\u4ef6\u5728\u836f\u7269\u8bbe\u8ba1\u3001\u751f\u7269\u4fe1\u606f\u5b66\u3001\u7ed3\u6784\u751f\u7269\u5b66\u7b49\u9886\u57df\u5177\u6709\u5e7f\u6cdb\u7684\u5e94\u7528\u3002\u5b83\u53ef\u4ee5\u5e2e\u52a9\u7814\u7a76\u4eba\u5458\u7406\u89e3\u751f\u7269\u5206\u5b50\u4e4b\u95f4\u7684\u76f8\u4e92\u4f5c\u7528\u673a\u5236\uff0c\u4e3a\u836f\u7269\u8bbe\u8ba1\u63d0\u4f9b\u7406\u8bba\u6307\u5bfc\uff0c\u52a0\u901f\u836f\u7269\u7814\u53d1\u7684\u8fdb\u7a0b\u3002<\/p>\n

\u8f6f\u4ef6\u4e0b\u8f7d<\/strong><\/h2>\n
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\u5b89\u88c5\u6559\u7a0b<\/strong><\/h2>\n
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1.\u9009\u4e2d\u4e0b\u8f7d\u597d\u7684\u5b89\u88c5\u5305\uff0c\u53f3\u952e\u9009\u62e9\u201c\u89e3\u538b\u5230\u5f53\u524d\u6587\u4ef6\u5939\u201d<\/p>\n

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2.\u53cc\u51fb\u8fd0\u884c\u201cpython-2.7.11 amd64\u201d<\/p>\n

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3.\u52fe\u9009\u201cInstall for all users\u201d\uff0c\u70b9\u51fb\u201cNext\u201d<\/p>\n

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4.\u9ed8\u8ba4\u5b89\u88c5\u4f4d\u7f6e\uff0c\u70b9\u51fb\u201cNext\u201d\uff1b<\/p>\n

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5.\u6b63\u5728\u5b89\u88c5<\/p>\n

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6.\u5b89\u88c5\u5b8c\u6210\uff0c\u70b9\u51fb\u201cFinish\u201d\uff1b<\/p>\n

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7.\u5f00\u59cb\u53f3\u952e\u9009\u62e9\u201c\u7cfb\u7edf\u201d<\/p>\n

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8.\u70b9\u51fb\u201c\u9ad8\u7ea7\u7cfb\u7edf\u8bbe\u7f6e\u201d\uff1b<\/p>\n

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9.\u70b9\u51fb\u201c\u9ad8\u7ea7-\u73af\u5883\u53d8\u91cf\u201d\uff1b<\/p>\n

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10.\u70b9\u51fb\u7cfb\u7edf\u53d8\u91cf\u4e2d\u7684Path\uff0c\u70b9\u51fb\u7f16\u8f91<\/p>\n

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11.\u70b9\u51fb\u65b0\u5efa\uff0c\u5206\u522b\u8f93\u5165\u201cC:\\Python27\u201d\u548c\u201cC:\\Python27\\Scripts\u201d<\/p>\n

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12.\u6309\u4e0bwin+R\u952e\uff0c\u8f93\u5165\u201ccmd\u201d\uff0c\u70b9\u51fb\u201c\u786e\u5b9a\u201d\uff1b<\/p>\n

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13.\u8f93\u5165\u201cpython –version\u201d\uff0c\u663e\u793a\u7ed3\u679c\uff0c\u5b89\u88c5\u6210\u529f\uff01<\/p>\n

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\u5b89\u88c5AutoDock<\/strong><\/p>\n

1.\u56de\u5b89\u88c5\u6587\u4ef6\u5939\uff0c\u9009\u4e2d\u201cautodocksuite-4.2.6.i86Windows\u201d\uff0c\u53f3\u952e\u9009\u62e9\u4ee5\u7ba1\u7406\u5458\u8eab\u4efd\u8fd0\u884c<\/p>\n

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2.\u4fee\u6539\u5b89\u88c5\u8def\u5f84\uff0c\u5b89\u88c5\u8def\u5f84\u4e2d\u4e0d\u8981\u51fa\u73b0\u4e2d\u6587\uff0c\u70b9\u51fb\u201cInstall\u201d\uff1b<\/p>\n

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3.\u5b89\u88c5\u5b8c\u6210\uff0c\u70b9\u51fb\u201cClose\u201d\u3002<\/p>\n

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\u5b89\u88c5MGLtools<\/strong><\/p>\n

1.\u8fd4\u56de\u5b89\u88c5\u6587\u4ef6\u5939\uff0c\u9009\u4e2d\u201cmgltools_win32_1.5.7_Setup\u201d\uff0c\u53f3\u952e\u9009\u62e9\u4ee5\u7ba1\u7406\u5458\u8eab\u4efd\u8fd0\u884c<\/p>\n

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2.\u70b9\u51fb\u201cNext\u201d<\/p>\n

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3.\u52fe\u9009\u540c\u610f\u534f\u8bae\uff0c\u70b9\u51fb\u201cYes\u201d<\/p>\n

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4.\u9ed8\u8ba4\u5b89\u88c5\u8def\u5f84\u4e0d\u8981\u66f4\u6539\uff0c\u70b9\u51fb\u201cNext\u201d<\/p>\n

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5.\u8f6f\u4ef6\u6b63\u5728\u5b89\u88c5\uff0c\u8bf7\u8010\u5fc3\u7b49\u5f85<\/p>\n

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6.\u51fa\u73b0\u5f39\u7a97\uff0c\u70b9\u51fb\u201cOK\u201d<\/p>\n

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7.\u53d6\u6d88\u52fe\u9009\u7b2c\u4e00\u6761\uff0c\u52fe\u9009\u7b2c\u4e8c\u4e09\u6761\uff0c\u70b9\u51fb\u201cFinish\u201d<\/p>\n

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8.\u8fd9\u65f6\u684c\u9762\u4f1a\u51fa\u73b0\u56db\u4e2a\u5feb\u6377\u65b9\u5f0f<\/p>\n

PMV\uff1a\u4e3b\u8981\u7528\u4e8e\u5206\u5b50\u53ef\u89c6\u5316\u548c\u5206\u6790\uff0c\u662f\u4e00\u4e2a\u901a\u7528\u7684\u5206\u5b50\u67e5\u770b\u5668<\/p>\n

AutoDockTools (ADT)\uff1a\u7528\u4e8e\u5206\u5b50\u5bf9\u63a5\u51c6\u5907\u548c\u5206\u6790\uff0c\u7279\u522b\u9002\u7528\u4e8e AutoDock<\/p>\n

Raccoon\uff1a\u7528\u4e8e\u9ad8\u901a\u91cf\u865a\u62df\u7b5b\u9009\uff0c\u9002\u5408\u5927\u89c4\u6a21\u5bf9\u63a5\u4efb\u52a1<\/p>\n

Vision\uff1a\u7528\u4e8e\u521b\u5efa\u548c\u7ba1\u7406\u590d\u6742\u7684\u8ba1\u7b97\u5de5\u4f5c\u6d41\uff0c\u6574\u5408\u591a\u4e2a\u5de5\u5177\u7684\u529f\u80fd<\/p>\n

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\u914d\u7f6eAutoDock<\/strong><\/p>\n

1.\u5728D\u76d8\u65b0\u5efa\u4e00\u4e2a\u6587\u4ef6\u5939\u201cAutodock-setting\u201d;<\/p>\n

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2.\u627e\u5230\u5b89\u88c5Autodock\u7684\u8def\u5f84\uff0c\u590d\u5236\u8fd9\u4e24\u4e2a\u7a0b\u5e8f\u5230D\u76d8\u65b0\u5efa\u7684Autodock-setting\u6587\u4ef6\u5939\u4e2d\uff0c\u627e\u5230MGLTools\u7684\u5b89\u88c5\u8def\u5f84\uff0c\u590d\u5236\u201cadt\u201d\u5230D\u76d8\u65b0\u5efa\u7684Autodock-setting\u6587\u4ef6\u5939\u4e2d<\/p>\n

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3.\u53cc\u51fb\u684c\u9762\u4e0a\u7684\u8f6f\u4ef6\u56fe\u6807<\/p>\n

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4.\u70b9\u51fb\u201cFile-preferences-set\u201d<\/p>\n

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5.\u5c06D:\\Autodock-setting\uff0c\u8def\u5f84\u7c98\u8d34\u5230startup directory\uff0c\u70b9\u51fb\u201cmake default\u201d<\/p>\n

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6.\u5b89\u88c5\u7ed3\u675f<\/p>\n

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\u8f6f\u4ef6\u4e0b\u8f7d<\/strong><\/h2>\n
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\u4e0b\u8f7d<\/span><\/a><\/p>\n<\/section>\n<\/section>\n<\/section>\n<\/div>\n<\/section>\n<\/section>\n<\/section>\n<\/div>\n<\/section>\n<\/section>\n<\/section>\n<\/section>\n<\/section>\n<\/div>\n<\/section>\n<\/section>\n<\/section>\n<\/div>\n<\/section>\n<\/section>\n<\/section>\n<\/div>\n<\/section>\n<\/section>\n<\/section>\n<\/section>\n<\/section>\n<\/div>\n<\/section>\n<\/section>\n<\/section>\n<\/div>\n<\/section>\n<\/section>\n<\/section>\n<\/div>\n<\/section>\n<\/section>\n<\/section>\n<\/section>\n<\/section>\n<\/div>\n<\/section>\n<\/section>\n<\/section>\n<\/div>\n<\/section>\n<\/section>\n<\/section>\n<\/div>\n<\/section>\n<\/section>\n<\/section>\n","protected":false},"excerpt":{"rendered":"

AutoDock\u662f\u4e00\u4e2a\u7528\u4e8e\u5206\u5b50\u5bf9\u63a5\u7684\u5f00\u6e90\u8f6f\u4ef6\uff0c\u5b83\u53ef\u4ee5\u9884\u6d4b\u751f\u7269\u5927\u5206\u5b50\uff08\u5982\u86cb\u767d\u8d28\u548c\u6838\u9178\uff09\u548c\u5c0f\u5206\u5b50\uff08\u5982\u5e95\u7269\u3001\u6291\u5236\u5242\u3001\u836f\u7269\u7b49\uff09\u4e4b\u95f4\u7684\u76f8\u4e92\u4f5c\u7528\u3002AutoDock\u901a\u8fc7\u6a21\u62df\u5206\u5b50\u95f4\u7684\u76f8\u4e92\u4f5c\u7528\uff0c\u53ef\u4ee5\u9884\u6d4b\u51fa\u5c0f\u5206\u5b50\u5728\u751f\u7269\u5927\u5206\u5b50\u4e2d\u7684\u7ed3\u5408\u4f4d\u7f6e\u3001\u7ed3\u5408\u80fd\u91cf\u4ee5\u53ca\u7ed3\u5408\u6784\u8c61\u7b49\u3002AutoDock\u8f6f\u4ef6\u5728\u836f\u7269\u8bbe\u8ba1\u3001\u751f\u7269\u4fe1\u606f\u5b66\u3001\u7ed3\u6784\u751f\u7269\u5b66\u7b49\u9886\u57df\u5177\u6709\u5e7f\u6cdb\u7684\u5e94\u7528\u3002\u5b83\u53ef\u4ee5\u5e2e\u52a9\u7814\u7a76\u4eba\u5458\u7406\u89e3\u751f\u7269\u5206\u5b50\u4e4b\u95f4\u7684\u76f8\u4e92\u4f5c\u7528\u673a\u5236\uff0c\u4e3a\u836f\u7269\u8bbe\u8ba1\u63d0\u4f9b\u7406\u8bba\u6307\u5bfc\uff0c\u52a0\u901f\u836f\u7269 […]<\/p>\n","protected":false},"author":1,"featured_media":31411,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[64,125],"tags":[],"class_list":["post-31380","post","type-post","status-publish","format-standard","has-post-thumbnail","hentry","category-64","category-125"],"menu_order":0,"_links":{"self":[{"href":"https:\/\/www.momorj.com\/index.php?rest_route=\/wp\/v2\/posts\/31380","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/www.momorj.com\/index.php?rest_route=\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www.momorj.com\/index.php?rest_route=\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www.momorj.com\/index.php?rest_route=\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/www.momorj.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=31380"}],"version-history":[{"count":0,"href":"https:\/\/www.momorj.com\/index.php?rest_route=\/wp\/v2\/posts\/31380\/revisions"}],"wp:featuredmedia":[{"embeddable":true,"href":"https:\/\/www.momorj.com\/index.php?rest_route=\/wp\/v2\/media\/31411"}],"wp:attachment":[{"href":"https:\/\/www.momorj.com\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=31380"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.momorj.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcategories&post=31380"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.momorj.com\/index.php?rest_route=%2Fwp%2Fv2%2Ftags&post=31380"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}