From 25e03d5d6f6aa4bc017f0cb2f672f7ed145ea38c Mon Sep 17 00:00:00 2001 From: Markus Hollander Date: Thu, 23 Jul 2020 14:53:31 +0200 Subject: [PATCH] copy input PDB to result folder for convenience --- src/settings.h | 3 +++ 1 file changed, 3 insertions(+) diff --git a/src/settings.h b/src/settings.h index 199c523..aa42f27 100644 --- a/src/settings.h +++ b/src/settings.h @@ -415,6 +415,9 @@ struct Settings { if (run_axis_trace) write_axes_trace_parameters(); if (run_gate_open) write_gate_open_parameters(); + // copy input PDB to output folder for convenience + fs::copy(pdb_path, out_dir / fs::path(pdb_name + ".pdb")); + } // generates the file path with all rotamer definitions for the given residue type