From 672853437bc61d419da9d5f9318a1f92c71d0632 Mon Sep 17 00:00:00 2001 From: Berk Onat <onatberk@gmail.com> Date: Tue, 31 Oct 2017 13:55:31 +0100 Subject: [PATCH] Update README.md --- README.md | 15 ++++++++++++++- 1 file changed, 14 insertions(+), 1 deletion(-) diff --git a/README.md b/README.md index bac44e9..4d46acf 100644 --- a/README.md +++ b/README.md @@ -1 +1,14 @@ -[pymolfile] +pymolfile + +Usage example: + +import pymolfile + +molfile = pymolfile.OpenMolfile('test/ala3.pdb') + +print(molfile.topology.structure) +print(molfile.topology.bonds) +print(molfile.topology.angles) + +molfile_traj = molfile.trajectory.iread() + -- GitLab