<html><head></head><body><div class="ydp227023ebyahoo-style-wrap" style="font-family: times new roman, new york, times, serif; font-size: 16px;" dir="ltr" data-setdir="false"> <span><span style="color: rgb(36, 39, 41); font-family: Arial, Helvetica Neue, Helvetica, sans-serif;">I am trying </span><span class="ydp51b228a9fw-bold" style="margin: 0px; padding: 0px; border: 0px; font-stretch: inherit; line-height: inherit; font-family: Arial, Helvetica Neue, Helvetica, sans-serif; vertical-align: baseline; color: rgb(36, 39, 41); font-weight: 700 !important;">to</span><span style="color: rgb(36, 39, 41); font-family: Arial, Helvetica Neue, Helvetica, sans-serif;"> find an easy </span><span class="ydp51b228a9fw-bold" style="margin: 0px; padding: 0px; border: 0px; font-stretch: inherit; line-height: inherit; font-family: Arial, Helvetica Neue, Helvetica, sans-serif; vertical-align: baseline; color: rgb(36, 39, 41); font-weight: 700 !important;">to</span><span style="color: rgb(36, 39, 41); font-family: Arial, Helvetica Neue, Helvetica, sans-serif;"> use tool </span><span class="ydp51b228a9fw-bold" style="margin: 0px; padding: 0px; border: 0px; font-stretch: inherit; line-height: inherit; font-family: Arial, Helvetica Neue, Helvetica, sans-serif; vertical-align: baseline; color: rgb(36, 39, 41); font-weight: 700 !important;">to</span><span style="color: rgb(36, 39, 41); font-family: Arial, Helvetica Neue, Helvetica, sans-serif;"> </span><span class="ydp51b228a9fw-bold" style="margin: 0px; padding: 0px; border: 0px; font-stretch: inherit; line-height: inherit; font-family: Arial, Helvetica Neue, Helvetica, sans-serif; vertical-align: baseline; color: rgb(36, 39, 41); font-weight: 700 !important;">add</span><span style="color: rgb(36, 39, 41); font-family: Arial, Helvetica Neue, Helvetica, sans-serif;"> </span><span class="ydp51b228a9fw-bold" style="margin: 0px; padding: 0px; border: 0px; font-stretch: inherit; line-height: inherit; font-family: Arial, Helvetica Neue, Helvetica, sans-serif; vertical-align: baseline; color: rgb(36, 39, 41); font-weight: 700 !important;">hydrogen</span><span style="color: rgb(36, 39, 41); font-family: Arial, Helvetica Neue, Helvetica, sans-serif;"> atoms </span><span class="ydp51b228a9fw-bold" style="margin: 0px; padding: 0px; border: 0px; font-stretch: inherit; line-height: inherit; font-family: Arial, Helvetica Neue, Helvetica, sans-serif; vertical-align: baseline; color: rgb(36, 39, 41); font-weight: 700 !important;">to</span><span style="color: rgb(36, 39, 41); font-family: Arial, Helvetica Neue, Helvetica, sans-serif;"> molecules in </span><span class="ydp51b228a9fw-bold" style="margin: 0px; padding: 0px; border: 0px; font-stretch: inherit; line-height: inherit; font-family: Arial, Helvetica Neue, Helvetica, sans-serif; vertical-align: baseline; color: rgb(36, 39, 41); font-weight: 700 !important;">pdbqt</span><span style="color: rgb(36, 39, 41); font-family: Arial, Helvetica Neue, Helvetica, sans-serif;"> format </span><span class="ydp51b228a9fw-bold" style="margin: 0px; padding: 0px; border: 0px; font-stretch: inherit; line-height: inherit; font-family: Arial, Helvetica Neue, Helvetica, sans-serif; vertical-align: baseline; color: rgb(36, 39, 41); font-weight: 700 !important;">to</span><span style="color: rgb(36, 39, 41); font-family: Arial, Helvetica Neue, Helvetica, sans-serif;"> carbon atoms only as I do not want </span><span class="ydp51b228a9fw-bold" style="margin: 0px; padding: 0px; border: 0px; font-stretch: inherit; line-height: inherit; font-family: Arial, Helvetica Neue, Helvetica, sans-serif; vertical-align: baseline; color: rgb(36, 39, 41); font-weight: 700 !important;">to</span><span style="color: rgb(36, 39, 41); font-family: Arial, Helvetica Neue, Helvetica, sans-serif;"> change the tautomeric state of the molecules, I tried rdkit, obabel, chimera but every tool I tried will </span><span class="ydp51b228a9fw-bold" style="margin: 0px; padding: 0px; border: 0px; font-stretch: inherit; line-height: inherit; font-family: Arial, Helvetica Neue, Helvetica, sans-serif; vertical-align: baseline; color: rgb(36, 39, 41); font-weight: 700 !important;">add</span><span style="color: rgb(36, 39, 41); font-family: Arial, Helvetica Neue, Helvetica, sans-serif;"> </span><span class="ydp51b228a9fw-bold" style="margin: 0px; padding: 0px; border: 0px; font-stretch: inherit; line-height: inherit; font-family: Arial, Helvetica Neue, Helvetica, sans-serif; vertical-align: baseline; color: rgb(36, 39, 41); font-weight: 700 !important;">hydrogen</span><span style="color: rgb(36, 39, 41); font-family: Arial, Helvetica Neue, Helvetica, sans-serif;"> </span><span class="ydp51b228a9fw-bold" style="margin: 0px; padding: 0px; border: 0px; font-stretch: inherit; line-height: inherit; font-family: Arial, Helvetica Neue, Helvetica, sans-serif; vertical-align: baseline; color: rgb(36, 39, 41); font-weight: 700 !important;">to</span><span style="color: rgb(36, 39, 41); font-family: Arial, Helvetica Neue, Helvetica, sans-serif;"> the entire molecule not carbon atoms only? Any suggestion?</span></span><br></div></body></html>