Quick Start Guide¶
Using conda, install the software by running the following command
conda install -c vothgroup openmscg
Run the following command to check the package information
OpenMSCG Python Package ========================= > Package Information --------------------- Name: OpenMSCG Version: 0.1.0 Summary: An open-source package for multi-scale coarse-graining (MSCG) modeling in computational chemistry and biology Home-page: https://software.uchicago.edu/mscg/ Author: The Voth Research Group, The University of Chicago Author-email: firstname.lastname@example.org License: GPL Description: This software integrates the cutting-edge CG and UCG model generation/simulation algorithms from The Voth Group and provide a user-driven code/data repository for public dissemination of CG/UCG models and parameters. The development is funded by NSF/SSE (No.5-27425), and focused on the broad applicability to the fields of chemistry, biology and the materials sciences in accordance with the National Strategic Supercomputing Initiative (e.g. Principle 1, Objective 2), and the Vision and Strategy for Software for Science, Engineering, and Education (NSF 12-113, Strategies 1-4). Platform: linux/x86_64 Python: >=3.6 Location: /home/yuxing/.local/lib/python3.6/site-packages/OpenMSCG-0.1.0-py3.6-linux-x86_64.egg/mscg > Classes in Package -------------------- BSpline -> mscg.bspline.BSpline BondList -> mscg.bondlist.BondList CLIParser -> mscg.cli_parser.CLIParser Matrix -> mscg.matrix.Matrix PairList -> mscg.pairlist.PairList TIMER -> mscg.timer.TIMER TableAngleBSpline -> mscg.tables.angle_bspline.TableAngleBSpline TableBondBSpline -> mscg.tables.bond_bspline.TableBondBSpline TablePairBSpline -> mscg.tables.pair_bspline.TablePairBSpline Topology -> mscg.topology.Topology Trajectory -> mscg.trajectory.Trajectory screen -> mscg.verbose.screen tables -> mscg.tables.tables Congratulations! The package is successfully installed.