From 4f2d7949f03e1c198bc888f2d05f421d35c57e21 Mon Sep 17 00:00:00 2001 From: V3n3RiX Date: Mon, 9 Oct 2017 18:53:29 +0100 Subject: reinit the tree, so we can have metadata --- sci-chemistry/ghemical/metadata.xml | 19 +++++++++++++++++++ 1 file changed, 19 insertions(+) create mode 100644 sci-chemistry/ghemical/metadata.xml (limited to 'sci-chemistry/ghemical/metadata.xml') diff --git a/sci-chemistry/ghemical/metadata.xml b/sci-chemistry/ghemical/metadata.xml new file mode 100644 index 000000000000..05b56d91546f --- /dev/null +++ b/sci-chemistry/ghemical/metadata.xml @@ -0,0 +1,19 @@ + + + + + sci-chemistry@gentoo.org + Gentoo Chemistry Project + + +Ghemical supports both quantum-mechanics (semi-empirical and ab initio) models +and molecular mechanics models (there is an experimental Tripos 5.2-like force +field for organic molecules). Also a tool for reduced protein models is +included. Geometry optimization, molecular dynamics and a large set of +visualization tools are currently available. + + + Use sci-chemistry/openbabel for file + conversions + + -- cgit v1.2.3