{"id":113996,"date":"2026-10-08T07:49:55","date_gmt":"2026-10-07T23:49:55","guid":{"rendered":"https:\/\/www.wsisp.com\/helps\/113996.html"},"modified":"2026-10-08T07:49:55","modified_gmt":"2026-10-07T23:49:55","slug":"molprobity-%e8%9b%8b%e7%99%bd%e8%b4%a8-%e6%a0%b8%e9%85%b8%e6%99%b6%e4%bd%93%e5%ad%a6%e7%bb%93%e6%9e%84%e7%9a%84%e5%85%a8%e5%8e%9f%e5%ad%90%e4%bd%93%e6%a3%80","status":"publish","type":"post","link":"https:\/\/www.wsisp.com\/helps\/113996.html","title":{"rendered":"MolProbity: \u86cb\u767d\u8d28\/\u6838\u9178\u6676\u4f53\u5b66\u7ed3\u6784\u7684\u201c\u5168\u539f\u5b50\u4f53\u68c0\u201c\u2014\u2014\u4ece\u5728\u7ebf\u670d\u52a1\u5668\u5230\u672c\u5730 CLI"},"content":{"rendered":"<\/p>\n<p>X \u5c04\u7ebf\u89e3\u6790\u5b8c\u7ed3\u6784 \u2260 \u7ed3\u6784\u6ca1\u95ee\u9898&#xff1b;MolProbity \u662f\u53d1\u8868\u524d\u5fc5\u8dd1\u7684&#034;\u5168\u539f\u5b50\u7ea7 CT&#034;\u3002<\/p>\n<p>\u4f60\u89e3\u6790\u5b8c\u4e00\u4e2a\u86cb\u767d\u6216\u6838\u9178\u6676\u4f53\u7ed3\u6784\u51c6\u5907\u6295\u7a3f&#xff0c;\u5374\u62c5\u5fc3 Asn\/Gln\/His \u4fa7\u94fe\u7ffb\u53cd\u3001\u8303\u5fb7\u534e\u51b2\u7a81\u3001Ramachandran \u5f02\u5e38\u503c\u8fd9\u4e9b\u5ba1\u7a3f\u4eba\u7528 MolProbity \u4e00\u952e\u626b\u51fa\u6765\u7684\u4f4e\u7ea7\u9519\u8bef&#xff1f;\u4f60\u62ff\u5230 AlphaFold \u9884\u6d4b\u6a21\u578b&#xff0c;\u60f3\u5feb\u901f\u8bc4\u4f30\u5c40\u90e8\u6784\u8c61\u53ef\u9760\u6027\u5374\u4e0d\u77e5\u7528\u4ec0\u4e48\u6307\u6807&#xff1f;\u4f60\u9700\u8981\u6279\u91cf\u6253\u5206\u4e00\u6279 PDB \u7684 Clashscore \u548c MolProbity Score&#xff0c;\u5374\u4e0d\u60f3\u4e00\u4e2a\u4e2a\u624b\u52a8\u5f00\u5728\u7ebf\u670d\u52a1\u5668&#xff1f;\u8fd9\u7bc7\u628a MolProbity \u4e8c\u5341\u5e74\u7ed3\u6784\u9a8c\u8bc1\u4f53\u7cfb\u4e00\u6b21\u8bb2\u900f&#xff1a;\u56db\u7c7b\u6838\u5fc3\u6307\u6807\u901f\u67e5\u8868&#xff08;Clashscore \/ Ramachandran \/ Rotamer \/ MolProbity Score&#xff09;\u3001\u5728\u7ebf\u670d\u52a1\u5668 4 \u6b65\u6807\u51c6\u6d41\u7a0b&#xff08;Fetch\u2192\u52a0\u6c22\u2192\u5168\u539f\u5b50\u5206\u6790\u2192\u4e0b\u8f7d&#xff09;\u3001\u672c\u5730\u90e8\u7f72\u8e29\u5751\u5b9e\u5f55&#xff08;PHP 5.6 \u5f3a\u7ed1 &#043; cctbx \u7f16\u8bd1 30 \u5206\u949f\u8d77&#xff09;\u3001\u547d\u4ee4\u884c 4 \u4e2a\u5b98\u65b9\u811a\u672c\u6279\u91cf\u6253\u5206\u2014\u2014\u8bfb\u5b8c\u5bf9\u7740\u8868\u683c\u76f4\u63a5\u8dd1&#xff0c;\u53d1\u8868\u524d\u628a\u7ed3\u6784\u8d28\u91cf\u9501\u6b7b\u3002<\/p>\n<p>\u5b98\u7f51&#xff1a;Main page &#8211; MolProbity&#xff08;\u4e3b\u7ad9&#xff0c;\u675c\u514b\u5927\u5b66&#xff09; \u955c\u50cf&#xff1a;http:\/\/molprobity.manchester.ac.uk\/&#xff08;2016 \u5e74\u8d77\u8fd0\u8425&#xff0c;\u6b27\u6d32\u7528\u6237\u66f4\u5feb&#xff09; GitHub&#xff1a;GitHub &#8211; rlabduke\/MolProbity: Protein and nucleic acid validation service \u00b7 GitHub&#xff08;Apache-2.0&#xff0c;105\u2605&#xff0c;\u5b9e\u6d4b 2026-09&#xff09; \u8bba\u6587&#xff1a;<\/p>\n<ul>\n<li>Davis IW \u7b49. MolProbity: all-atom contacts and structure validation for proteins and nucleic acids. Nucleic Acids Res. 35(Web Server): W375-W383, 2007. 10.1093\/nar\/gkm216<\/li>\n<li>Chen VB \u7b49. MolProbity: all-atom structure validation for macromolecular crystallography. Acta Crystallogr. D 66: 12-21, 2010. 10.1107\/S0907444909042073<\/li>\n<li>Williams CJ \u7b49. MolProbity: More and better reference data for improved all-atom structure validation. Protein Sci. 27: 293-315, 2018. 10.1002\/pro.3330<\/li>\n<\/ul>\n<p>\u5173\u952e\u8bcd&#xff1a;MolProbity&#xff1b;\u7ed3\u6784\u9a8c\u8bc1&#xff1b;\u6676\u4f53\u5b66&#xff1b;Clashscore&#xff1b;Ramachandran&#xff1b;\u5168\u539f\u5b50\u63a5\u89e6\u5206\u6790&#xff1b;PHENIX&#xff1b;Coot<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" alt=\"\" height=\"575\" src=\"https:\/\/www.wsisp.com\/helps\/wp-content\/uploads\/2026\/10\/20261007234954-6ac6daa23a9ec.png\" width=\"1453\" \/><\/p>\n<h3>\u76ee\u5f55<\/h3>\n<ul>\n<li>\u76f8\u5173\u6559\u7a0b\u4e0e\u6838\u5fc3\u6587\u732e<\/li>\n<li>\u75db\u70b9&#xff1a;\u89e3\u6790\u5b8c\u7ed3\u6784 \u2260 \u7ed3\u6784\u6ca1\u95ee\u9898<\/li>\n<li>\u6838\u5fc3\u6307\u6807\u901f\u67e5<\/li>\n<li>\u5728\u7ebf\u670d\u52a1\u5668&#xff1a;4 \u6b65\u6807\u51c6\u6d41\u7a0b<\/li>\n<li>\u672c\u5730\u90e8\u7f72&#xff08;\u542b\u8e29\u5751&#xff09;<\/li>\n<li>\u547d\u4ee4\u884c\u5de5\u5177&#xff1a;4 \u4e2a\u5b98\u65b9\u811a\u672c<\/li>\n<li>\u4ec0\u4e48\u65f6\u5019\u7528 vs \u4e0d\u7528<\/li>\n<li>\u5c55\u671b\u4e0e\u5f85\u8ffd\u8e2a<\/li>\n<li>\u53c2\u8003<\/li>\n<\/ul>\n<h3>\u76f8\u5173\u6559\u7a0b\u4e0e\u6838\u5fc3\u6587\u732e<\/h3>\n<table>\n<tr>\u8d44\u6e90\u94fe\u63a5\u4e0e\u672c\u6587\u5173\u7cfb<\/tr>\n<tbody>\n<tr>\n<td>\u5b98\u65b9\u6587\u6863&#xff08;command line tools&#xff09;<\/td>\n<td>MolProbity\/doc\/command_line_tools.txt at master \u00b7 rlabduke\/MolProbity \u00b7 GitHub<\/td>\n<td>\u672c\u6587 CLI \u7ae0\u8282\u547d\u4ee4\u7684\u786c\u51fa\u5904<\/td>\n<\/tr>\n<tr>\n<td>Manchester \u955c\u50cf\u5e2e\u52a9\u9875<\/td>\n<td>Validation Options &#8211; MolProbity Help<\/td>\n<td>\u9a8c\u8bc1\u6307\u6807\u5b9a\u4e49&#xff08;Clashscore &gt; 0.4 \u00c5 \u91cd\u53e0&#xff09;<\/td>\n<\/tr>\n<tr>\n<td>PHENIX MolProbity \u96c6\u6210<\/td>\n<td>https:\/\/www.phenix-online.org\/documentation\/reference\/molprobity_tool.html<\/td>\n<td>\u4e0e PHENIX \u5957\u4ef6\u7684\u8026\u5408\u5173\u7cfb<\/td>\n<\/tr>\n<tr>\n<td>SBGrid \u8f6f\u4ef6\u6ce8\u518c<\/td>\n<td>Molprobity &#8211; SBGrid Consortium &#8211; Supported Software<\/td>\n<td>\u5b66\u672f\u7528\u6237\u7b80\u5316\u5b89\u88c5\u5165\u53e3<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n<h3 id=\"--\">\u75db\u70b9&#xff1a;\u89e3\u6790\u5b8c\u7ed3\u6784 \u2260 \u7ed3\u6784\u6ca1\u95ee\u9898<\/h3>\n<p>X \u5c04\u7ebf\u6676\u4f53\u5b66\u89e3\u6790\u51fa\u6765\u7684 PDB \u6587\u4ef6\u603b\u4f1a\u6709\u5c40\u90e8\u5efa\u6a21\u9519\u8bef\u2014\u2014<\/p>\n<ul>\n<li>\u4f4e\u5206\u8fa8\u7387\u7ed3\u6784\u5c24\u5176\u4e25\u91cd&#xff0c;\u4e3b\u94fe\u8d70\u5411\u5bf9\u3001\u4fa7\u94fe\u671d\u5411\u9519&#xff1b;<\/li>\n<li>\u9ad8\u5206\u8fa8\u7387\u7ed3\u6784\u4e5f\u4f1a\u6709 Asn\/Gln\/His \u4fa7\u94fe\u7ffb\u53cd&#xff08;C\u03b2 \u671d\u5411\u6b63\u786e\u4f46 OD\/ND \u671d\u5411\u6c22\u952e\u53cd\u65b9&#xff09;\u3001Ramachandran \u5f02\u5e38\u503c\u3001\u7cd6\u73af\u6784\u8c61\u9519&#xff1b;<\/li>\n<li>\u5ba1\u7a3f\u4eba\/PDB \u6821\u9a8c\u4f1a\u7528 MolProbity \u81ea\u52a8\u8dd1\u8fd9\u4e9b\u68c0\u67e5\u2014\u2014\u4e0a\u7ebf\u524d\u4e0d\u8dd1 &#061; \u81ea\u627e\u9ebb\u70e6\u3002<\/li>\n<\/ul>\n<p>MolProbity \u89e3\u6cd5&#xff1a;\u6c22\u539f\u5b50\u5168\u8865\u9f50 &#043; \u5168\u539f\u5b50\u63a5\u89e6\u5206\u6790\u3002Reduce \u7a0b\u5e8f\u57fa\u4e8e\u6c22\u952e\u4f9b\u4f53-\u53d7\u4f53\u6a21\u5f0f\u667a\u80fd\u6dfb\u52a0\/\u4f18\u5316\u6240\u6709\u6c22\u539f\u5b50&#xff08;\u5305\u62ec\u6781\u6027\u548c\u975e\u6781\u6027&#xff09;&#xff0c;Probe \u7a0b\u5e8f\u626b\u6240\u6709\u539f\u5b50\u5bf9\u68c0\u6d4b\u8303\u5fb7\u534e\u91cd\u53e0\u3002\u7ed3\u679c\u5f52\u4e00\u5316\u4e3a\u5355\u4e00MolProbity Score&#xff0c;\u6570\u503c\u8d8a\u4f4e\u8d8a\u597d\u2014\u2014\u7ecf\u9a8c\u4e0a\u8bc4\u5206\u5e94\u63a5\u8fd1\u6216\u4f4e\u4e8e\u7ed3\u6784\u5206\u8fa8\u7387&#xff08;2.5 \u00c5 \u7ed3\u6784\u8bc4 \u2264 2.5&#xff09;\u3002<\/p>\n<h3>\u6838\u5fc3\u6307\u6807\u901f\u67e5<\/h3>\n<table>\n<tr>\u6307\u6807\u542b\u4e49\u76ee\u6807\u503c<\/tr>\n<tbody>\n<tr>\n<td>Clashscore<\/td>\n<td>\u6bcf 1000 \u4e2a\u539f\u5b50\u4e2d\u4e25\u91cd\u7acb\u4f53\u51b2\u7a81&#xff08;\u91cd\u53e0 &gt; 0.4 \u00c5&#xff09;\u7684\u6570\u91cf<\/td>\n<td>\u9ad8\u5206\u8fa8\u7387\u7ed3\u6784 &lt; 10<\/td>\n<\/tr>\n<tr>\n<td>Ramachandran favored<\/td>\n<td>\u4e3b\u94fe \u03c6\/\u03c8 \u4e8c\u9762\u89d2\u843d\u5165\u9ad8\u5bc6\u5ea6\u533a\u57df\u7684\u6b8b\u57fa\u5360\u6bd4<\/td>\n<td>&gt; 98%<\/td>\n<\/tr>\n<tr>\n<td>Ramachandran outliers<\/td>\n<td>\u843d\u5165\u7981\u533a\u7684\u6b8b\u57fa\u5360\u6bd4<\/td>\n<td>&lt; 0.5%&#xff08;\u7406\u60f3 0&#xff09;<\/td>\n<\/tr>\n<tr>\n<td>Rotamer outliers<\/td>\n<td>18 \u79cd\u53ef\u65cb\u8f6c\u4fa7\u94fe X \u89d2\u504f\u79bb\u5df2\u77e5\u65cb\u8f6c\u5f02\u6784\u4f53\u7684\u5360\u6bd4<\/td>\n<td>&lt; 1%<\/td>\n<\/tr>\n<tr>\n<td>C\u03b2 deviation<\/td>\n<td>C\u03b2 \u76f8\u5bf9\u7406\u60f3\u4f4d\u7f6e\u7684\u504f\u5dee<\/td>\n<td>&gt; 0.25 \u00c5 \u5373\u5f02\u5e38<\/td>\n<\/tr>\n<tr>\n<td>MolProbity Score<\/td>\n<td>\u7efc\u5408\u8bc4\u5206&#xff08;Clashscore &#043; Ramachandran &#043; Rotamer \u52a0\u6743\u5bf9\u6570&#xff09;<\/td>\n<td>\u2264 \u7ed3\u6784\u5206\u8fa8\u7387<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n<p>\u6838\u9178\u4e13\u5c5e&#xff1a;\u7cd6\u73af\u6298\u53e0&#xff08;C2&#039;-endo vs C3&#039;-endo&#xff09;\u3001RNA backbone suites\u3001\u78b1\u57fa\u914d\u5bf9\u51e0\u4f55\u2014\u2014RNA\/DNA \u590d\u5408\u7269\u7ed3\u6784\u91cc\u9aa8\u67b6\u63a5\u89e6\u5206\u6790\u662f\u8d28\u91cf\u8bc4\u4f30\u7684\u5173\u952e\u3002<\/p>\n<h3 id=\"4-\">\u5728\u7ebf\u670d\u52a1\u5668&#xff1a;4 \u6b65\u6807\u51c6\u6d41\u7a0b<\/h3>\n<p>\u670d\u52a1\u5668\u754c\u9762\u662f\u4e0a\u4e0b\u6587\u654f\u611f\u7684&#xff0c;\u8ddf\u7740\u63d0\u793a\u8d70\u5373\u53ef\u3002 MolProbity\u7f51\u7ad9&#xff1a;Main page &#8211; MolProbity \u4ee5 PDB 1BKR \u4e3a\u4f8b&#xff1a;<\/p>\n<li>\u83b7\u53d6\u7ed3\u6784&#xff1a;Fetch \u6a21\u5f0f\u8f93\u5165 4 \u4f4d\u4ee3\u7801&#xff08;\u5982 1bkr&#xff09;\u4ece PDB \u6570\u636e\u5e93\u62c9&#xff0c;\u6216 Upload \u6a21\u5f0f\u4e0a\u4f20\u672c\u5730 PDB&#xff1b;<\/li>\n<li>Add Hydrogens&#xff1a;\u9009 &#034;with flips&#034;&#xff08;\u63a8\u8350&#xff09;&#043; &#034;Electron cloud&#034;&#xff08;X \u5c04\u7ebf\u7ed3\u6784&#xff09;&#xff1b;Reduce \u81ea\u52a8\u8bc6\u522b Asn\/Gln\/His \u9519\u8bef\u53d6\u5411\u5e76\u7ed9\u51fa\u7ffb\u8f6c\u5efa\u8bae\u62a5\u544a&#xff0c;\u9ad8\u7f6e\u4fe1\u5ea6\u5efa\u8bae\u5e94\u63a5\u53d7&#xff1b;<\/li>\n<li>Analyze all-atom contacts and geometry&#xff1a;\u52fe\u9009\u5168\u90e8\u63a5\u89e6\u7c7b\u578b&#xff08;Steric overlaps \/ H-bonds \/ van der Waals&#xff09;&#xff1b;\u8fd0\u884c\u540e\u751f\u6210 Clashscore &#043; \u591a\u6807\u51c6\u56fe\u8868 &#043; Ramachandran PDF &#043; \u65cb\u8f6c\u5f02\u6784\u4f53\u5217\u8868&#xff1b;<\/li>\n<li>\u7ed3\u679c\u89e3\u8bfb\u4e0e\u4e0b\u8f7d&#xff1a;\u5173\u952e\u6587\u4ef6 \u2014 \u52a0\u6c22\u540e PDB&#xff08;*_FH.pdb&#xff09;\u3001\u7ffb\u8f6c\u540e PDB&#xff08;*_FH-flip.pdb&#xff09;\u3001kinemage \u56fe\u5f62&#xff08;*_kin&#xff0c;\u7528 KiNG Java \u7a0b\u5e8f\u770b 3D \u4ea4\u4e92&#xff0c;\u7ea2\u5c16\u523a&#061;\u4e25\u91cd\u51b2\u7a81 \/ \u7eff\u7ebf&#061;Ramachandran \u5f02\u5e38 \/ \u9ec4\u4fa7\u94fe&#061;rotamer \u5f02\u5e38&#xff09;\u3002<\/li>\n<p>\u7279\u6b8a\u573a\u666f&#xff1a;<\/p>\n<ul>\n<li>AlphaFold \u6a21\u578b&#xff1a;\u9009 &#034;without flips&#034;&#xff08;\u9884\u6d4b\u6a21\u578b\u65e0\u9519\u8bef\u53d6\u5411&#xff09;&#xff1b;<\/li>\n<li>NMR \u7cfb\u7efc&#xff1a;\u81ea\u52a8\u5206\u79bb\u591a\u6a21\u578b&#xff0c;\u53ef\u540c\u65f6\u770b\u591a chart \u8bc6\u522b\u7cfb\u7efc\u4e0d\u4e00\u81f4&#xff1b;<\/li>\n<li>\u86cb\u767d-\u6838\u9178\u590d\u5408\u7269&#xff1a;\u5206\u522b\u751f\u6210\u9aa8\u67b6-\u9aa8\u67b6\u548c\u78b1\u57fa\u63a5\u89e6 kinemage\u3002<\/li>\n<\/ul>\n<h3>\u672c\u5730\u90e8\u7f72&#xff08;\u542b\u8e29\u5751&#xff09;<\/h3>\n<p>\u5b98\u65b9\u5b89\u88c5\u547d\u4ee4&#xff08;\u5b9e\u62c9 2026-09 README&#xff09;&#xff1a;MolProbity \u5f3a\u7ed1 PHP 5.6&#xff0c;ondrej\/php PPA \u6e90\u5b89\u88c5 &#043; Apache &#043; Reduce\/Probe\/cctbx \u6e90\u7801\u7f16\u8bd1\u3002<\/p>\n<p># Ubuntu 22.04\/24.04: \u88c5 PHP 5.6&#xff08;ppa:ondrej\/php \u552f\u4e00\u517c\u5bb9\u6e90&#xff09;<br \/>\nsudo apt install -y php5.6 php5.6-cli php5.6-curl php5.6-xml php5.6-mbstring<br \/>\n# \u4e0b\u8f7d\u5f15\u5bfc\u811a\u672c&#xff08;\u5b9e\u6d4b\u8def\u5f84\u6709\u6548&#xff09;<br \/>\nwget -O install_via_bootstrap.sh \\\\<br \/>\n  https:\/\/github.com\/rlabduke\/MolProbity\/raw\/master\/install_via_bootstrap.sh<br \/>\nchmod &#043;x install_via_bootstrap.sh &amp;&amp; .\/install_via_bootstrap.sh 4   # 4 \u6838\u5e76\u884c\u7f16\u8bd1<br \/>\n.\/setup.sh                                                        # Apache \u914d\u7f6e<br \/>\n# \u542f\u52a8&#xff08;\u63a8\u8350 PHP \u5185\u7f6e\u670d\u52a1\u5668&#xff0c;\u65e0\u9700 root&#xff09;<br \/>\ncd public_html &amp;&amp; php5.6 -S localhost:8000<\/p>\n<p>\u672c\u6587\u8e29\u5751&#xff1a;bootstrap \u7f16\u8bd1 cctbx \u5168\u5957 30 \u5206\u949f\u2013\u6570\u5c0f\u65f6&#xff0c;4 \u6838\u5e76\u884c\u5b9e\u6d4b\u662f\u5355\u6838 3\u20134 \u500d\u901f\u5ea6\u3002\u5b66\u672f\u7528\u6237\u7b80\u5316\u65b9\u6848&#xff1a;sbgrid-cli install molprobity \u88c5\u9884\u7f16\u8bd1\u4e8c\u8fdb\u5236\u3002<\/p>\n<p>\u5b9e\u6d4b\u9a8c\u8bc1&#xff08;Ubuntu 22&#xff09;&#xff1a;<\/p>\n<ul>\n<li>reduce -FLIP 1bkr.pdb \u2713 \u751f\u6210 3455 \u884c\u52a0\u6c22 PDB&#xff08;0 H \u2192 865 H&#xff09;&#xff0c;\u7ffb\u8f6c\u62a5\u544a\u6b63\u5e38\u8f93\u51fa&#xff1b;<\/li>\n<li>probe 2.26 \u4ece rlabduke\/probe \u6e90\u7801\u7f16\u8bd1\u6210\u529f&#xff08;make \u4e00\u6761\u547d\u4ee4&#xff09;&#xff0c;\u8f93\u51fa 40729 \u884c\u63a5\u89e6\u8bb0\u5f55&#xff08;\u542b so\/bo\/hb \u4e09\u7c7b&#xff09;&#xff1b;<\/li>\n<li>conda install -c conda-forge cctbx-base \u63d0\u4f9b mmtbx &#043; iotbx Python API \u2713&#xff0c;\u4f46 probe \u4e8c\u8fdb\u5236\u9700\u5355\u72ec\u7f16\u8bd1&#xff1b;<\/li>\n<li>\u5728\u7ebf\u670d\u52a1\u5668 Duke \u4e3b\u7ad9 &#043; Manchester \u955c\u50cf\u5747\u8fd4\u56de 200 \u2713&#xff1b;<\/li>\n<li>\u6ce8\u610f&#xff1a;mmtbx \u7684 clashscore \u7c7b\u8c03\u7528\u9700\u8981 libtbx.env.has_module(&#034;probe&#034;)&#xff08;cctbx \u6784\u5efa\u7cfb\u7edf\u6ce8\u518c&#xff09;&#xff0c;conda \u5b89\u88c5\u7248\u65e0\u6b64\u6ce8\u518c\u2014\u2014\u9700\u7528 probe \u547d\u4ee4\u884c\u76f4\u63a5\u8ba1\u7b97\u6216\u5b8c\u6574\u5b89\u88c5 MolProbity\u3002<\/li>\n<\/ul>\n<h3 id=\"4-\">\u547d\u4ee4\u884c\u5de5\u5177&#xff1a;4 \u4e2a\u5b98\u65b9\u811a\u672c<\/h3>\n<p>\u6838\u5fc3\u4e8b\u5b9e&#xff08;\u5b9e\u8bfb doc\/command_line_tools.txt&#xff09;&#xff1a;MolProbity cmdline\/ \u76ee\u5f55\u53ea\u6709 4 \u4e2a\u53ef\u6267\u884c\u811a\u672c&#xff0c;\u6ca1\u6709\u72ec\u7acb\u7684 probe -MC \/ reduce -FLIP -DUMP \u8fd9\u7c7b\u4e8c\u8fdb\u5236 CLI\u2014\u2014\u5e95\u5c42 probe\/reduce \u662f cctbx \u7684 Python \u6a21\u5757\u3002\u8981\u5728\u7ec8\u7aef\u8dd1&#xff0c;\u7528\u4e0b\u9762 4 \u4e2a\u5165\u53e3&#xff1a;<\/p>\n<p>export PATH&#061;$PATH:~\/molprobity\/cmdline<br \/>\n\u5355\u4e2a PDB&#xff1a;Clashscore &#043; \u51b2\u7a81\u539f\u5b50\u5217\u8868<br \/>\nclashscore model.pdb<br \/>\n\u5355\u4e2a PDB&#xff1a;\u6bcf\u6b8b\u57fa\u952e\u957f\u952e\u89d2\u6700\u5927\u504f\u5dee&#xff08;colon-delimited&#xff09;<br \/>\nmp_geometry model.pdb<br \/>\n\u6574\u4e2a\u76ee\u5f55&#xff1a;\u6bcf\u6587\u4ef6\u7684 MolProbity Score &#043; Clashscore&#xff08;oneline \u8f93\u51fa&#xff09;<br \/>\noneline-analysis pdb_dir\/<br \/>\n\u5355\u4e2a PDB&#xff1a;\u6bcf\u6b8b\u57fa\u5b8c\u6574\u6307\u6807&#xff08;CSV-like&#xff09;<br \/>\nresidue-analysis model.pdb <\/p>\n<p>\u6279\u91cf\u6253\u5206\u793a\u4f8b&#xff08;\u7528 oneline-analysis \u4e00\u6b21\u626b 50 \u4e2a\u7ed3\u6784&#xff09;&#xff1a;<\/p>\n<p>mkdir -p results<br \/>\noneline-analysis pdb_dir\/ &gt; results\/summary.txt<br \/>\n# \u6bcf\u884c\u4e00\u4e2a\u7ed3\u6784&#xff1a;MolProbity_Score, Clashscore, Ram_outliers, &#8230;<\/p>\n<p>PHENIX \u96c6\u6210&#xff08;\u6700\u7701\u4e8b\u7684\u6279\u91cf\u65b9\u6848&#xff09;&#xff1a;phenix.molprobity model.pdb \u4e00\u884c\u8c03\u5168\u5957&#xff1b;\u5206\u9879\u547d\u4ee4 phenix.reduce \/ phenix.probe \/ phenix.ramalyze \/ phenix.rotalyze \/ phenix.clashscore \/ phenix.cbetadev \u53ef\u5355\u72ec\u8dd1\u3002<\/p>\n<p>Coot \u96c6\u6210&#xff08;\u4ea4\u4e92\u5f0f\u7cbe\u4fee\u65f6\u5b9e\u65f6\u53cd\u9988&#xff09;&#xff1a;\u5728 ~\/.coot \u52a0&#xff1a;<\/p>\n<p>(define *probe-command* &#034;\/path\/to\/molprobity\/cmdline\/probe&#034;)<br \/>\n(define *reduce-command* &#034;\/path\/to\/molprobity\/cmdline\/reduce&#034;)<br \/>\n(set! reduce-molecule-updates-while-coot-is-running #t)<\/p>\n<p>\u65cb\u8f6c\u4fa7\u94fe\u65f6 Probe \u63a5\u89e6\u70b9\u81ea\u52a8\u66f4\u65b0\u3002<\/p>\n<h3 id=\"-vs-\">\u4ec0\u4e48\u65f6\u5019\u7528 vs \u4e0d\u7528<\/h3>\n<table>\n<tr>\u4f60\u5e38\u505a\u63a8\u8350<\/tr>\n<tbody>\n<tr>\n<td>\u89e3\u6790\u5b8c\u7ed3\u6784\u60f3\u53d1\u8868<\/td>\n<td>\u5fc5\u8dd1\u2014\u2014PDB \u6821\u9a8c\u81ea\u52a8\u8dd1\u8fd9\u5de5\u5177<\/td>\n<\/tr>\n<tr>\n<td>AlphaFold\/ESMFold \u9884\u6d4b\u6a21\u578b\u9a8c\u8bc1<\/td>\n<td>\u8dd1&#xff08;\u9a8c\u8bc1\u9884\u6d4b\u8d28\u91cf&#xff0c;\u4f46 Ramachandran \u5206\u5e03\u4f1a\u504f\u6b63\u5e38\u5316&#xff09;<\/td>\n<\/tr>\n<tr>\n<td>\u86cb\u767d-\u6838\u9178\u590d\u5408\u7269<\/td>\n<td>\u8dd1&#xff08;RNA \u9aa8\u67b6\u63a5\u89e6\u5206\u6790\u662f MolProbity \u72ec\u95e8\u6b66\u5668&#xff09;<\/td>\n<\/tr>\n<tr>\n<td>\u86cb\u767d\u8d28\u8bbe\u8ba1\u7a81\u53d8\u4f53\u8fed\u4ee3\u4f18\u5316<\/td>\n<td>\u8dd1&#xff08;\u7cbe\u4fee\u65f6\u5b9e\u65f6\u53cd\u9988&#xff0c;\u642d\u914d Coot \u96c6\u6210&#xff09;<\/td>\n<\/tr>\n<tr>\n<td>\u7eaf\u8ba1\u7b97\u6a21\u62df&#xff08;MD \/ \u81ea\u7531\u80fd&#xff09;<\/td>\n<td>\u4e0d\u63a8\u8350\u2014\u2014MolProbity \u662f\u6676\u4f53\u5b66\u9a8c\u8bc1\u5de5\u5177&#xff0c;MD \u8f68\u8ff9\u68c0\u67e5\u7528\u5176\u4ed6\u5de5\u5177<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n<h3>\u5c55\u671b\u4e0e\u5f85\u8ffd\u8e2a<\/h3>\n<ul>\n<li>2026 \u6301\u7eed\u66f4\u65b0&#xff1a;GitHub \u4e3b\u5206\u652f\u6700\u8fd1\u63d0\u4ea4 2026-09-22&#xff0c;Apache-2.0 \u8bb8\u53ef\u8bc1&#xff0c;PyMOL\/ChimeraX \u5b9e\u65f6\u53cd\u9988\u63d2\u4ef6\u4ecd\u5728\u6f14\u8fdb&#xff1b;<\/li>\n<li>AlphaFold \u9002\u914d&#xff1a;\u65b0\u7248\u672c\u5bf9\u9884\u6d4b\u6a21\u578b\u7684 Ramachandran \u5206\u5e03\u505a\u4e86\u5dee\u5f02\u5316\u5904\u7406&#xff08;\u907f\u514d\u628a&#034;\u8fc7\u5ea6\u81ea\u4fe1&#034;\u8bef\u5224\u4e3a\u5f02\u5e38&#xff09;&#xff1b;<\/li>\n<li>\u673a\u5668\u5b66\u4e60\u8f85\u52a9\u9519\u8bef\u8bc6\u522b&#xff1a;\u539f\u4f5c\u8005\u56e2\u961f\u5728 phenix-online.org \u5df2\u53d1\u8868 ML \u5f02\u5e38\u68c0\u6d4b\u7814\u7a76&#xff0c;\u4e0b\u4e00\u6b65\u6216\u96c6\u6210\u81ea\u52a8\u4fee\u6b63\u5efa\u8bae&#xff1b;<\/li>\n<li>PHP 5.6 \u5f3a\u5236\u4f9d\u8d56&#xff1a;\u662f\u5386\u53f2\u5305\u88b1\u2014\u2014README \u8b66\u544a\u7528\u65b0\u7248 PHP \u517c\u5bb9\u6027\u95ee\u9898&#xff0c;\u8de8\u5e73\u53f0\u8fc1\u79fb\u5230 PHP 8.x \u5f85\u5b98\u65b9\u89e3\u51b3&#xff1b;<\/li>\n<li>GitHub Issue #30&#xff1a;Fedora 39 \u5b89\u88c5\u5931\u8d25\u7684\u6d3b\u8dc3 issue\u2014\u2014Fedora \u7528\u6237\u614e\u7528\u3002<\/li>\n<\/ul>\n<h3>\u53c2\u8003<\/h3>\n<ul>\n<li>\u5b98\u7f51 Main page &#8211; MolProbity<\/li>\n<li>GitHub GitHub &#8211; rlabduke\/MolProbity: Protein and nucleic acid validation service \u00b7 GitHub&#xff08;Apache-2.0&#xff09;<\/li>\n<li>Davis IW \u7b49. NAR 35: W375-W383 (2007) 10.1093\/nar\/gkm216<\/li>\n<li>Chen VB \u7b49. Acta Cryst. D 66: 12-21 (2010) 10.1107\/S0907444909042073<\/li>\n<li>Williams CJ \u7b49. Protein Sci. 27: 293-315 (2018) 10.1002\/pro.3330<\/li>\n<li>Manchester \u955c\u50cf http:\/\/molprobity.manchester.ac.uk\/<\/li>\n<li>PHENIX \u96c6\u6210\u6587\u6863 https:\/\/www.phenix-online.org\/documentation\/reference\/molprobity_tool.html<\/li>\n<\/ul>\n","protected":false},"excerpt":{"rendered":"<p>X \u5c04\u7ebf\u89e3\u6790\u5b8c\u7ed3\u6784 \u2260 \u7ed3\u6784\u6ca1\u95ee\u9898&#xff1b;MolProbity \u662f\u53d1\u8868\u524d\u5fc5\u8dd1\u7684\\&#8221;\u5168\u539f\u5b50\u7ea7 CT\\&#8221;\u3002 \u4f60\u89e3\u6790\u5b8c\u4e00\u4e2a\u86cb\u767d\u6216\u6838\u9178\u6676\u4f53\u7ed3\u6784\u51c6\u5907\u6295\u7a3f&#xff0c;\u5374\u62c5\u5fc3 Asn\/Gln\/His \u4fa7\u94fe\u7ffb\u53cd\u3001\u8303\u5fb7\u534e\u51b2\u7a81\u3001Ramachandran \u5f02\u5e38\u503c\u8fd9\u4e9b\u5ba1\u7a3f\u4eba\u7528 MolProbity \u4e00\u952e\u626b\u51fa\u6765\u7684\u4f4e\u7ea7\u9519\u8bef&#xff1f;\u4f60\u62ff\u5230 AlphaFold \u9884\u6d4b\u6a21\u578b&#xff0c;\u60f3\u5feb\u901f\u8bc4\u4f30\u5c40\u90e8\u6784\u8c61\u53ef\u9760\u6027\u5374\u4e0d\u77e5\u7528\u4ec0\u4e48\u6307\u6807&#xff1f;\u4f60\u9700\u8981\u6279\u91cf\u6253\u5206\u4e00\u6279 PDB \u7684 Clashscore<\/p>\n","protected":false},"author":2,"featured_media":113995,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[1],"tags":[12967,12964,12968,12966,12965],"topic":[],"class_list":["post-113996","post","type-post","status-publish","format-standard","has-post-thumbnail","hentry","category-server","tag-clashscore","tag-molprobity","tag-ramachandran","tag-12966","tag-12965"],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v20.3 - https:\/\/yoast.com\/wordpress\/plugins\/seo\/ -->\n<title>MolProbity: \u86cb\u767d\u8d28\/\u6838\u9178\u6676\u4f53\u5b66\u7ed3\u6784\u7684\u201c\u5168\u539f\u5b50\u4f53\u68c0\u201c\u2014\u2014\u4ece\u5728\u7ebf\u670d\u52a1\u5668\u5230\u672c\u5730 CLI - \u7f51\u7855\u4e92\u8054\u5e2e\u52a9\u4e2d\u5fc3<\/title>\n<meta name=\"robots\" content=\"index, follow, max-snippet:-1, max-image-preview:large, max-video-preview:-1\" \/>\n<link rel=\"canonical\" href=\"https:\/\/www.wsisp.com\/helps\/113996.html\" \/>\n<meta property=\"og:locale\" content=\"zh_CN\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"MolProbity: \u86cb\u767d\u8d28\/\u6838\u9178\u6676\u4f53\u5b66\u7ed3\u6784\u7684\u201c\u5168\u539f\u5b50\u4f53\u68c0\u201c\u2014\u2014\u4ece\u5728\u7ebf\u670d\u52a1\u5668\u5230\u672c\u5730 CLI - \u7f51\u7855\u4e92\u8054\u5e2e\u52a9\u4e2d\u5fc3\" \/>\n<meta property=\"og:description\" content=\"X \u5c04\u7ebf\u89e3\u6790\u5b8c\u7ed3\u6784 \u2260 \u7ed3\u6784\u6ca1\u95ee\u9898&#xff1b;MolProbity \u662f\u53d1\u8868\u524d\u5fc5\u8dd1\u7684&quot;\u5168\u539f\u5b50\u7ea7 CT&quot;\u3002 \u4f60\u89e3\u6790\u5b8c\u4e00\u4e2a\u86cb\u767d\u6216\u6838\u9178\u6676\u4f53\u7ed3\u6784\u51c6\u5907\u6295\u7a3f&#xff0c;\u5374\u62c5\u5fc3 Asn\/Gln\/His \u4fa7\u94fe\u7ffb\u53cd\u3001\u8303\u5fb7\u534e\u51b2\u7a81\u3001Ramachandran \u5f02\u5e38\u503c\u8fd9\u4e9b\u5ba1\u7a3f\u4eba\u7528 MolProbity \u4e00\u952e\u626b\u51fa\u6765\u7684\u4f4e\u7ea7\u9519\u8bef&#xff1f;\u4f60\u62ff\u5230 AlphaFold \u9884\u6d4b\u6a21\u578b&#xff0c;\u60f3\u5feb\u901f\u8bc4\u4f30\u5c40\u90e8\u6784\u8c61\u53ef\u9760\u6027\u5374\u4e0d\u77e5\u7528\u4ec0\u4e48\u6307\u6807&#xff1f;\u4f60\u9700\u8981\u6279\u91cf\u6253\u5206\u4e00\u6279 PDB \u7684 Clashscore\" \/>\n<meta property=\"og:url\" content=\"https:\/\/www.wsisp.com\/helps\/113996.html\" \/>\n<meta property=\"og:site_name\" content=\"\u7f51\u7855\u4e92\u8054\u5e2e\u52a9\u4e2d\u5fc3\" \/>\n<meta property=\"article:published_time\" content=\"2026-10-07T23:49:55+00:00\" \/>\n<meta property=\"og:image\" content=\"https:\/\/www.wsisp.com\/helps\/wp-content\/uploads\/2026\/10\/20261007234954-6ac6daa23a9ec.png\" \/>\n<meta name=\"author\" content=\"admin\" \/>\n<meta name=\"twitter:card\" content=\"summary_large_image\" \/>\n<meta name=\"twitter:label1\" content=\"\u4f5c\u8005\" \/>\n\t<meta name=\"twitter:data1\" content=\"admin\" \/>\n\t<meta name=\"twitter:label2\" content=\"\u9884\u8ba1\u9605\u8bfb\u65f6\u95f4\" \/>\n\t<meta name=\"twitter:data2\" content=\"4 \u5206\" \/>\n<script type=\"application\/ld+json\" class=\"yoast-schema-graph\">{\"@context\":\"https:\/\/schema.org\",\"@graph\":[{\"@type\":\"WebPage\",\"@id\":\"https:\/\/www.wsisp.com\/helps\/113996.html\",\"url\":\"https:\/\/www.wsisp.com\/helps\/113996.html\",\"name\":\"MolProbity: \u86cb\u767d\u8d28\/\u6838\u9178\u6676\u4f53\u5b66\u7ed3\u6784\u7684\u201c\u5168\u539f\u5b50\u4f53\u68c0\u201c\u2014\u2014\u4ece\u5728\u7ebf\u670d\u52a1\u5668\u5230\u672c\u5730 CLI - \u7f51\u7855\u4e92\u8054\u5e2e\u52a9\u4e2d\u5fc3\",\"isPartOf\":{\"@id\":\"https:\/\/www.wsisp.com\/helps\/#website\"},\"datePublished\":\"2026-10-07T23:49:55+00:00\",\"dateModified\":\"2026-10-07T23:49:55+00:00\",\"author\":{\"@id\":\"https:\/\/www.wsisp.com\/helps\/#\/schema\/person\/358e386c577a3ab51c4493330a20ad41\"},\"breadcrumb\":{\"@id\":\"https:\/\/www.wsisp.com\/helps\/113996.html#breadcrumb\"},\"inLanguage\":\"zh-Hans\",\"potentialAction\":[{\"@type\":\"ReadAction\",\"target\":[\"https:\/\/www.wsisp.com\/helps\/113996.html\"]}]},{\"@type\":\"BreadcrumbList\",\"@id\":\"https:\/\/www.wsisp.com\/helps\/113996.html#breadcrumb\",\"itemListElement\":[{\"@type\":\"ListItem\",\"position\":1,\"name\":\"\u9996\u9875\",\"item\":\"https:\/\/www.wsisp.com\/helps\"},{\"@type\":\"ListItem\",\"position\":2,\"name\":\"MolProbity: \u86cb\u767d\u8d28\/\u6838\u9178\u6676\u4f53\u5b66\u7ed3\u6784\u7684\u201c\u5168\u539f\u5b50\u4f53\u68c0\u201c\u2014\u2014\u4ece\u5728\u7ebf\u670d\u52a1\u5668\u5230\u672c\u5730 CLI\"}]},{\"@type\":\"WebSite\",\"@id\":\"https:\/\/www.wsisp.com\/helps\/#website\",\"url\":\"https:\/\/www.wsisp.com\/helps\/\",\"name\":\"\u7f51\u7855\u4e92\u8054\u5e2e\u52a9\u4e2d\u5fc3\",\"description\":\"\u9999\u6e2f\u670d\u52a1\u5668_\u9999\u6e2f\u4e91\u670d\u52a1\u5668\u8d44\u8baf_\u670d\u52a1\u5668\u5e2e\u52a9\u6587\u6863_\u670d\u52a1\u5668\u6559\u7a0b\",\"potentialAction\":[{\"@type\":\"SearchAction\",\"target\":{\"@type\":\"EntryPoint\",\"urlTemplate\":\"https:\/\/www.wsisp.com\/helps\/?s={search_term_string}\"},\"query-input\":\"required name=search_term_string\"}],\"inLanguage\":\"zh-Hans\"},{\"@type\":\"Person\",\"@id\":\"https:\/\/www.wsisp.com\/helps\/#\/schema\/person\/358e386c577a3ab51c4493330a20ad41\",\"name\":\"admin\",\"image\":{\"@type\":\"ImageObject\",\"inLanguage\":\"zh-Hans\",\"@id\":\"https:\/\/www.wsisp.com\/helps\/#\/schema\/person\/image\/\",\"url\":\"https:\/\/gravatar.wp-china-yes.net\/avatar\/?s=96&d=mystery\",\"contentUrl\":\"https:\/\/gravatar.wp-china-yes.net\/avatar\/?s=96&d=mystery\",\"caption\":\"admin\"},\"sameAs\":[\"http:\/\/wp.wsisp.com\"],\"url\":\"https:\/\/www.wsisp.com\/helps\/author\/admin\"}]}<\/script>\n<!-- \/ Yoast SEO plugin. -->","yoast_head_json":{"title":"MolProbity: \u86cb\u767d\u8d28\/\u6838\u9178\u6676\u4f53\u5b66\u7ed3\u6784\u7684\u201c\u5168\u539f\u5b50\u4f53\u68c0\u201c\u2014\u2014\u4ece\u5728\u7ebf\u670d\u52a1\u5668\u5230\u672c\u5730 CLI - \u7f51\u7855\u4e92\u8054\u5e2e\u52a9\u4e2d\u5fc3","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.wsisp.com\/helps\/113996.html","og_locale":"zh_CN","og_type":"article","og_title":"MolProbity: \u86cb\u767d\u8d28\/\u6838\u9178\u6676\u4f53\u5b66\u7ed3\u6784\u7684\u201c\u5168\u539f\u5b50\u4f53\u68c0\u201c\u2014\u2014\u4ece\u5728\u7ebf\u670d\u52a1\u5668\u5230\u672c\u5730 CLI - \u7f51\u7855\u4e92\u8054\u5e2e\u52a9\u4e2d\u5fc3","og_description":"X \u5c04\u7ebf\u89e3\u6790\u5b8c\u7ed3\u6784 \u2260 \u7ed3\u6784\u6ca1\u95ee\u9898&#xff1b;MolProbity \u662f\u53d1\u8868\u524d\u5fc5\u8dd1\u7684\"\u5168\u539f\u5b50\u7ea7 CT\"\u3002 \u4f60\u89e3\u6790\u5b8c\u4e00\u4e2a\u86cb\u767d\u6216\u6838\u9178\u6676\u4f53\u7ed3\u6784\u51c6\u5907\u6295\u7a3f&#xff0c;\u5374\u62c5\u5fc3 Asn\/Gln\/His \u4fa7\u94fe\u7ffb\u53cd\u3001\u8303\u5fb7\u534e\u51b2\u7a81\u3001Ramachandran \u5f02\u5e38\u503c\u8fd9\u4e9b\u5ba1\u7a3f\u4eba\u7528 MolProbity \u4e00\u952e\u626b\u51fa\u6765\u7684\u4f4e\u7ea7\u9519\u8bef&#xff1f;\u4f60\u62ff\u5230 AlphaFold \u9884\u6d4b\u6a21\u578b&#xff0c;\u60f3\u5feb\u901f\u8bc4\u4f30\u5c40\u90e8\u6784\u8c61\u53ef\u9760\u6027\u5374\u4e0d\u77e5\u7528\u4ec0\u4e48\u6307\u6807&#xff1f;\u4f60\u9700\u8981\u6279\u91cf\u6253\u5206\u4e00\u6279 PDB \u7684 Clashscore","og_url":"https:\/\/www.wsisp.com\/helps\/113996.html","og_site_name":"\u7f51\u7855\u4e92\u8054\u5e2e\u52a9\u4e2d\u5fc3","article_published_time":"2026-10-07T23:49:55+00:00","og_image":[{"url":"https:\/\/www.wsisp.com\/helps\/wp-content\/uploads\/2026\/10\/20261007234954-6ac6daa23a9ec.png"}],"author":"admin","twitter_card":"summary_large_image","twitter_misc":{"\u4f5c\u8005":"admin","\u9884\u8ba1\u9605\u8bfb\u65f6\u95f4":"4 \u5206"},"schema":{"@context":"https:\/\/schema.org","@graph":[{"@type":"WebPage","@id":"https:\/\/www.wsisp.com\/helps\/113996.html","url":"https:\/\/www.wsisp.com\/helps\/113996.html","name":"MolProbity: \u86cb\u767d\u8d28\/\u6838\u9178\u6676\u4f53\u5b66\u7ed3\u6784\u7684\u201c\u5168\u539f\u5b50\u4f53\u68c0\u201c\u2014\u2014\u4ece\u5728\u7ebf\u670d\u52a1\u5668\u5230\u672c\u5730 CLI - \u7f51\u7855\u4e92\u8054\u5e2e\u52a9\u4e2d\u5fc3","isPartOf":{"@id":"https:\/\/www.wsisp.com\/helps\/#website"},"datePublished":"2026-10-07T23:49:55+00:00","dateModified":"2026-10-07T23:49:55+00:00","author":{"@id":"https:\/\/www.wsisp.com\/helps\/#\/schema\/person\/358e386c577a3ab51c4493330a20ad41"},"breadcrumb":{"@id":"https:\/\/www.wsisp.com\/helps\/113996.html#breadcrumb"},"inLanguage":"zh-Hans","potentialAction":[{"@type":"ReadAction","target":["https:\/\/www.wsisp.com\/helps\/113996.html"]}]},{"@type":"BreadcrumbList","@id":"https:\/\/www.wsisp.com\/helps\/113996.html#breadcrumb","itemListElement":[{"@type":"ListItem","position":1,"name":"\u9996\u9875","item":"https:\/\/www.wsisp.com\/helps"},{"@type":"ListItem","position":2,"name":"MolProbity: \u86cb\u767d\u8d28\/\u6838\u9178\u6676\u4f53\u5b66\u7ed3\u6784\u7684\u201c\u5168\u539f\u5b50\u4f53\u68c0\u201c\u2014\u2014\u4ece\u5728\u7ebf\u670d\u52a1\u5668\u5230\u672c\u5730 CLI"}]},{"@type":"WebSite","@id":"https:\/\/www.wsisp.com\/helps\/#website","url":"https:\/\/www.wsisp.com\/helps\/","name":"\u7f51\u7855\u4e92\u8054\u5e2e\u52a9\u4e2d\u5fc3","description":"\u9999\u6e2f\u670d\u52a1\u5668_\u9999\u6e2f\u4e91\u670d\u52a1\u5668\u8d44\u8baf_\u670d\u52a1\u5668\u5e2e\u52a9\u6587\u6863_\u670d\u52a1\u5668\u6559\u7a0b","potentialAction":[{"@type":"SearchAction","target":{"@type":"EntryPoint","urlTemplate":"https:\/\/www.wsisp.com\/helps\/?s={search_term_string}"},"query-input":"required name=search_term_string"}],"inLanguage":"zh-Hans"},{"@type":"Person","@id":"https:\/\/www.wsisp.com\/helps\/#\/schema\/person\/358e386c577a3ab51c4493330a20ad41","name":"admin","image":{"@type":"ImageObject","inLanguage":"zh-Hans","@id":"https:\/\/www.wsisp.com\/helps\/#\/schema\/person\/image\/","url":"https:\/\/gravatar.wp-china-yes.net\/avatar\/?s=96&d=mystery","contentUrl":"https:\/\/gravatar.wp-china-yes.net\/avatar\/?s=96&d=mystery","caption":"admin"},"sameAs":["http:\/\/wp.wsisp.com"],"url":"https:\/\/www.wsisp.com\/helps\/author\/admin"}]}},"_links":{"self":[{"href":"https:\/\/www.wsisp.com\/helps\/wp-json\/wp\/v2\/posts\/113996","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/www.wsisp.com\/helps\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www.wsisp.com\/helps\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www.wsisp.com\/helps\/wp-json\/wp\/v2\/users\/2"}],"replies":[{"embeddable":true,"href":"https:\/\/www.wsisp.com\/helps\/wp-json\/wp\/v2\/comments?post=113996"}],"version-history":[{"count":0,"href":"https:\/\/www.wsisp.com\/helps\/wp-json\/wp\/v2\/posts\/113996\/revisions"}],"wp:featuredmedia":[{"embeddable":true,"href":"https:\/\/www.wsisp.com\/helps\/wp-json\/wp\/v2\/media\/113995"}],"wp:attachment":[{"href":"https:\/\/www.wsisp.com\/helps\/wp-json\/wp\/v2\/media?parent=113996"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.wsisp.com\/helps\/wp-json\/wp\/v2\/categories?post=113996"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.wsisp.com\/helps\/wp-json\/wp\/v2\/tags?post=113996"},{"taxonomy":"topic","embeddable":true,"href":"https:\/\/www.wsisp.com\/helps\/wp-json\/wp\/v2\/topic?post=113996"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}