{"id":1060,"date":"2026-05-22T14:25:37","date_gmt":"2026-05-22T14:25:37","guid":{"rendered":"https:\/\/regenspatz.com\/?page_id=1060"},"modified":"2026-05-22T14:25:38","modified_gmt":"2026-05-22T14:25:38","slug":"tautomers","status":"publish","type":"page","link":"https:\/\/regenspatz.com\/?page_id=1060","title":{"rendered":"Tautomers"},"content":{"rendered":"\n<div class=\"wp-block-atomic-blocks-ab-columns ab-layout-columns-2 ab-2-col-equal\"><div class=\"ab-layout-column-wrap ab-block-layout-column-gap-2 ab-is-responsive-column\">\n<div class=\"wp-block-atomic-blocks-ab-column ab-block-layout-column\"><div class=\"ab-block-layout-column-inner\">\n<p class=\"wp-block-paragraph\">Tautomer preferences depend on the local pH value, a molecule or functional group is surrounded by. Enlisting meaningful tautomers is an unsolved problem so far.<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">Here&#8217;s a little experiment to try and get the 15 guanine tautomers out of RDKIT, not sure if it works for anythink else.<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">Please visit the<a href=\"https:\/\/github.com\/kemaeleon\/tautomers\"> tautomers github project<\/a>.<\/p>\n\n\n\n<p class=\"wp-block-paragraph\"><br>usage:<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">python make_and_throw.py -h<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">The script is was tested on the 5th of February 2018 using:<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">python 3.6.0.final.0<br>installed by conda 4.3.27<br>rdkit 2017.03.2<br>pycharm community edition 2017.3.3<\/p>\n<\/div><\/div>\n\n\n\n<div class=\"wp-block-atomic-blocks-ab-column ab-block-layout-column\"><div class=\"ab-block-layout-column-inner\">\n<figure class=\"wp-block-image size-large animated jackInTheBox\"><img decoding=\"async\" src=\"https:\/\/kemaeleon.com\/wp-content\/uploads\/2018\/02\/guanine_tautomers-1-594x1024.png\" alt=\"\" class=\"wp-image-3571\"\/><\/figure>\n<\/div><\/div>\n<\/div><\/div>\n\n\n<p><\/p>","protected":false},"excerpt":{"rendered":"","protected":false},"author":2,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"_coblocks_attr":"","_coblocks_dimensions":"","_coblocks_responsive_height":"","_coblocks_accordion_ie_support":"","neve_meta_sidebar":"","neve_meta_container":"","neve_meta_enable_content_width":"","neve_meta_content_width":0,"neve_meta_title_alignment":"","neve_meta_author_avatar":"","neve_post_elements_order":"","neve_meta_disable_header":"","neve_meta_disable_footer":"","neve_meta_disable_title":"","neve_meta_reading_time":"","_themeisle_gutenberg_block_has_review":false,"footnotes":""},"class_list":["post-1060","page","type-page","status-publish","hentry"],"aioseo_notices":[],"featured_image_src":"","featured_image_src_square":false,"rbea_author_info":{"display_name":"Maria Brandl","author_link":"https:\/\/regenspatz.com\/?author=2"},"rbea_excerpt_info":null,"_links":{"self":[{"href":"https:\/\/regenspatz.com\/index.php?rest_route=\/wp\/v2\/pages\/1060","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/regenspatz.com\/index.php?rest_route=\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/regenspatz.com\/index.php?rest_route=\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/regenspatz.com\/index.php?rest_route=\/wp\/v2\/users\/2"}],"replies":[{"embeddable":true,"href":"https:\/\/regenspatz.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=1060"}],"version-history":[{"count":1,"href":"https:\/\/regenspatz.com\/index.php?rest_route=\/wp\/v2\/pages\/1060\/revisions"}],"predecessor-version":[{"id":1061,"href":"https:\/\/regenspatz.com\/index.php?rest_route=\/wp\/v2\/pages\/1060\/revisions\/1061"}],"wp:attachment":[{"href":"https:\/\/regenspatz.com\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=1060"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}