Leap – Chemistry Through a Computational Lens

Fun fact: LEaP’s original author, Christian Schafmeister, went on to create a Common Lisp implementation that uses C++ and LLVM for applications in molecular nanotechnology: <a href="https:&#x2F;&#x2F;www.youtube.com&#x2F;watch?v=8X69_42Mj-g" rel="nofollow">https:&#x2F;&#x2F;www.youtube.com&#x2F;watch?v=8X69_42Mj-g</a>

Great to see LEaP (and AMBER) on the front page of HN!<p>Note that LEaP is one part of the AmberTools suite of programs and is used to prepare systems for subsequent molecular dynamics simulations.<p>- Long-time AMBER disciple&#x2F;user

not hating on the great amber - but why LEaP on the front page of HN with no context...?<p>happy to see some light shown on the grim state of comp chem file formats and their shockingly lossy interconversion but I&#x27;m not sure that was the OP&#x27;s intent?

Too bad that the PDB format is depreciated.<p><a href="https:&#x2F;&#x2F;www.wwpdb.org&#x2F;documentation&#x2F;file-formats-and-the-pdb" rel="nofollow">https:&#x2F;&#x2F;www.wwpdb.org&#x2F;documentation&#x2F;file-formats-and-the-pdb</a>