X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=blobdiff_plain;f=src%2Fpython%2Frunner%2Fpipeline.py;h=48106cbb3fe904052a6d01fcebf5562b5acd1ce2;hb=0595b4a4c763a0bc574658992081abf8b0abc3fe;hp=2ea912df686bcfc79f521af4025d53a945819583;hpb=60e4ed7e229b54c47f5847128df2ede11d42a60d;p=alexxy%2Fgromacs.git diff --git a/src/python/runner/pipeline.py b/src/python/runner/pipeline.py index 2ea912df68..48106cbb3f 100644 --- a/src/python/runner/pipeline.py +++ b/src/python/runner/pipeline.py @@ -1,6 +1,41 @@ - -from gromacs import Options, TrajectoryAnalysis -import sys, shlex +# +# This file is part of the GROMACS molecular simulation package. +# +# Copyright (c) 2015, by the GROMACS development team, led by +# Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl, +# and including many others, as listed in the AUTHORS file in the +# top-level source directory and at http://www.gromacs.org. +# +# GROMACS is free software; you can redistribute it and/or +# modify it under the terms of the GNU Lesser General Public License +# as published by the Free Software Foundation; either version 2.1 +# of the License, or (at your option) any later version. +# +# GROMACS is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with GROMACS; if not, see +# http://www.gnu.org/licenses, or write to the Free Software Foundation, +# Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# +# If you want to redistribute modifications to GROMACS, please +# consider that scientific software is very special. Version +# control is crucial - bugs must be traceable. We will be happy to +# consider code for inclusion in the official distribution, but +# derived work must not be called official GROMACS. Details are found +# in the README & COPYING files - if they are missing, get the +# official version at http://www.gromacs.org. +# +# To help us fund GROMACS development, we humbly ask that you cite +# the research papers on the package. Check out http://www.gromacs.org. + +import sys +import shlex +from gromacs import Options +from gromacs import TrajectoryAnalysis class GromacsPipeline(TrajectoryAnalysis.TrajectoryAnalysisModule):