Transaction

jmetaB0349935738b0172781bec2302efef1505ee40f0fbb37886fd5597f38eddf7e652f@6e310a0579acad2cd4035426f1abe6c508d443dd4241600efb7c245ddb21c7da atom.entrymetarss.netMª<entry> <title type="text">Leap – Chemistry Through a Computational Lens</title> <id>https://ambermd.org/tutorials/pengfei/index.php</id> <updated>2024-07-15T19:29:22.138573Z</updated> <link href="https://ambermd.org/tutorials/pengfei/index.php"/> <author> <name>oumua_don17</name> <uri>https://news.ycombinator.com/user?id=oumua_don17</uri> </author> <content type="html">&lt;img src=&#34;https://ambermd.org/tutorials/images/LEaPFileTypesChart.jpg&#34; style=&#34;width: 220px; height: 135px;&#34; /&gt;&lt;br /&gt;The LEaP program is a portal that collates parameters to make a complete description of a molecule, generating an AMBER topology file and coordinate file, and can be used to create a solvated protein in water by renaming CYS residues, adding bonds, and solvating the system. The program can also be used to add custom residues, modify atom and residue names, and add bonds, and provides verbose ... &lt;a href=&#34;https://hackernews.betacat.io/#leap-chemistry-through-a-computational-lens&#34; target=&#34;_blank&#34;&gt;[summary]&lt;/a&gt; &lt;a href=&#34;https://news.ycombinator.com/item?id=40970739&#34; target=&#34;_blank&#34;&gt;[comments]&lt;/a&gt;</content> </entry>