{"id":1049,"date":"2022-05-25T21:45:08","date_gmt":"2022-05-25T12:45:08","guid":{"rendered":"https:\/\/www.mypresto5.jp\/en\/?p=1049"},"modified":"2022-05-30T12:26:22","modified_gmt":"2022-05-30T03:26:22","slug":"mypresto-portal-ver-1-1-82","status":"publish","type":"post","link":"https:\/\/www.mypresto5.jp\/en\/history\/mypresto-portal-ver-1-1-82\/","title":{"rendered":"myPresto Portal ver.1.1.82 released"},"content":{"rendered":"\n<p><strong>Additional Functions<\/strong><\/p>\n<ul>\n<li>In [Add Hydrogens], you can choose from the following three methods of adding hydrogen atoms to a compound.<br \/>(1) Hydrogen addition so that the acidic\/basic functional group is in a dissociated state, and the method of updating the information on the formal charge. (the default method so far)<br \/>(2) Hydrogen addition so that the acidic\/basic functional group is in a non-dissociated state, updating the information on formal charge<br \/>(3) Dissociation or non-dissociation for specific metal-coordinated structures (thiol, carboxylic acid, hydroxamic acid, tetrazole, chelate type) (3) How to update the information of hydrogen addition and formal charge to be dissociated or non-dissociated state for specific metal coordination type structures (thiol, carboxylic acid, hydroxamic acid, tetrazole, chelate type)<\/li>\n<li>In [Find Pocket], the pocket search has been performed only for protein molecules, but now nucleic acid molecules are also included.<br \/>However, the pocket search by Molsite still targets only protein molecules.<\/li>\n<li>In [Find Pocket], a search method using sitegene was added.<\/li>\n<\/ul>\n","protected":false},"excerpt":{"rendered":"<p>Additional Functions In [Add Hydrogens], you can choose from the following three methods of adding hydrogen atoms to a compound.(1) Hydrogen addition so that the acidic\/basic functional group is in a dissociated state, and the method of updating the information on the formal charge. (the default method so far)(2) Hydrogen addition so that the acidic\/basic functional group is in a non-dissociated state, updating the information on formal charge(3) Dissociation or non-dissociation for specific metal-coordinated structures (thiol, carboxylic acid, hydroxamic acid, tetrazole, chelate type) (3) How to update the information of hydrogen addition and formal charge to be dissociated or non-dissociated state for specific metal coordination type structures (thiol, carboxylic acid,&#8230;<\/p>\n","protected":false},"author":1,"featured_media":0,"comment_status":"closed","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[3,2],"tags":[],"_links":{"self":[{"href":"https:\/\/www.mypresto5.jp\/en\/wp-json\/wp\/v2\/posts\/1049"}],"collection":[{"href":"https:\/\/www.mypresto5.jp\/en\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www.mypresto5.jp\/en\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www.mypresto5.jp\/en\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/www.mypresto5.jp\/en\/wp-json\/wp\/v2\/comments?post=1049"}],"version-history":[{"count":3,"href":"https:\/\/www.mypresto5.jp\/en\/wp-json\/wp\/v2\/posts\/1049\/revisions"}],"predecessor-version":[{"id":1127,"href":"https:\/\/www.mypresto5.jp\/en\/wp-json\/wp\/v2\/posts\/1049\/revisions\/1127"}],"wp:attachment":[{"href":"https:\/\/www.mypresto5.jp\/en\/wp-json\/wp\/v2\/media?parent=1049"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.mypresto5.jp\/en\/wp-json\/wp\/v2\/categories?post=1049"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.mypresto5.jp\/en\/wp-json\/wp\/v2\/tags?post=1049"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}