Skip to content

openstructure: Open-source computational structural biology framework

Overview of package

Package: openstructure
Description: Open-source computational structural biology framework
For more information: https://openstructure.org/
Categories: MolecularDynamics
Biology
License: OpenSource (LGPL3)

General Usage

OpenStructure is an open-source, modular, flexible framework for molecular modelling and visualization.

This module will add the ost and related commands to your PATH

In case you need to link against this library in your code, the following environmental variables have been defined:

  • $OPENSTRUCTURE_ROOT has been set to the root of the openstructure installation
  • $OPENSTRUCTURE_LIBDIR points to the directory containing the libraries
  • $OPENSTRUCTURE_INCDIR points to the directory containing the header files

You will probably wish to use these by adding the following flags to your compilation command (e.g. to CFLAGS in your Makefile):

  • -I$OPENSTRUCTURE_INCDIR

and the following flags to your link command (e.g. LDFLAGS in your Makefile):

  • -L$OPENSTRUCTURE_LIBDIR -Wl,-rpath,$OPENSTRUCTURE_LIBDIR

Available versions by cluster

This section lists the available versions of the package openstructureon the UMD HPC clusters.

Versions available on the Zaratan cluster

Version Module tags CPU(s) optimized for GPU ready?
2.7.0 2.7.0 zen2 Yes