- recipe openstructure
Open-Source Computational Structural Biology Framework
- Homepage:
- Documentation:
- Developer docs:
- License:
LGPL / LGPL-3.0-or-later
- Recipe:
- Links:
biotools: openstructure, doi: 10.1107/S0907444913007051
This project aims to provide an open-source, modular, flexible, molecular modelling and visualization environment. It is targeted at interested method developers in the field of structural bioinformatics.
- package openstructure¶
- versions:
2.10.0-2,2.10.0-1,2.10.0-0,2.9.3-0- depends clustalw:
- depends fftw:
>=3.3.10,<4.0a0- depends glew:
>=2.1.0,<2.2.0a0- depends glfw:
>=3.4,<4.0a0- depends libboost:
>=1.86.0,<1.87.0a0- depends libboost-python:
>=1.86.0,<1.87.0a0- depends libegl:
>=1.7.0,<2.0a0- depends libgcc:
>=13- depends libgfortran:
- depends libgfortran5:
>=13.3.0- depends libgl:
>=1.7.0,<2.0a0- depends libgles:
>=1.7.0,<2.0a0- depends libglx:
>=1.7.0,<2.0a0- depends libpng:
>=1.6.47,<1.7.0a0- depends libsqlite:
>=3.50.0,<4.0a0- depends libstdcxx:
>=13- depends libtiff:
>=4.7.0,<4.8.0a0- depends libxcb:
>=1.17.0,<2.0a0- depends libzlib:
>=1.3.1,<2.0a0- depends mesalib:
>=25.0.5,<25.1.0a0- depends networkx:
>=2.8.8,<3.0a0- depends numpy:
>=1.26.4,<2.0a0- depends ocl-icd:
>=2.3.3,<3.0a0- depends openmm:
>=8.2.0,<9.0a0- depends pandas:
>=2.2.3,<3.0a0- depends parasail:
>=2.6.2,<3.0a0- depends pyqt:
>=5.15.9,<5.16.0a0- depends python:
>=3.10,<3.11.0a0 *_cpython- depends python_abi:
3.10.* *_cp310- depends qt:
>=5.15.8,<5.16.0a0- depends scipy:
>=1.15.2,<2.0a0- depends voronota:
>=1.29.4370,<2.0a0- requirements:
- additional platforms:
linux-aarch64,osx-arm64
Installation
You need a conda-compatible package manager (currently either micromamba, mamba, or conda) and the Bioconda channel already activated (see set-up-channels).
While any of above package managers is fine, it is currently recommended to use either micromamba or mamba (see here for installation instructions). We will show all commands using mamba below, but the arguments are the same for the two others.
Given that you already have a conda environment in which you want to have this package, install with:
mamba install openstructure and update with:: mamba update openstructure
To create a new environment, run:
mamba create --name myenvname openstructure
with
myenvnamebeing a reasonable name for the environment (see e.g. the mamba docs for details and further options).Alternatively, use the docker container:
docker pull quay.io/biocontainers/openstructure:<tag> (see `openstructure/tags`_ for valid values for ``<tag>``)
Download stats¶
Link to this page¶
Render an 
badge with the following MarkDown:
[](http://bioconda.github.io/recipes/openstructure/README.html)
