recipe biobb_structure_checking

BioBB_structure_checking performs MDWeb structure checking set as a command line utility.

Homepage:

https://github.com/bioexcel/biobb_structure_checking

License:

APACHE / Apache Software License

Recipe:

/biobb_structure_checking/meta.yaml

Biobb_structure_checking performs a checking of the quality of a 3D structure intended to facilitate the setup of molecular dynamics simulation of protein or nucleic acids systems. Biobb_structure_checking package allows to configure the system (selection of model/chains,alternative location, addition of disulfide bonds and hydrogen atoms, side chain mutations), to detect and fix structure errors (missing side chain atoms, backbone breaks, amide assignments, incorrect chirality). It works with structures obtained from the Protein Data Bank or user provided. The Biobb_structure_checking package provides a command line utility (https://biobb-structure-checking.readthedocs.io/en/latest/command_line_usage.html) and a python API (https://biobb-structure-checking.readthedocs.io/en/latest/biobb_structure_checking.html). The latest documentation of this package can be found in our readthedocs site: http://biobb_structure_checking.readthedocs.io/en/latest/

package biobb_structure_checking

(downloads) docker_biobb_structure_checking

Versions:
3.10.1-03.9.11-13.9.11-03.9.10-03.9.9-03.9.7-03.9.6-03.9.2-03.9.1-0

3.10.1-03.9.11-13.9.11-03.9.10-03.9.9-03.9.7-03.9.6-03.9.2-03.9.1-03.8.5-03.7.3-03.7.2-03.7.1-03.5.3-03.5.0-03.0.2-03.0.1-03.0.0-01.0.7-01.0.6-01.0.5-00.0.1-0

Depends:
Required By:

Installation

With an activated Bioconda channel (see set-up-channels), install with:

conda install biobb_structure_checking

and update with:

conda update biobb_structure_checking

or use the docker container:

docker pull quay.io/biocontainers/biobb_structure_checking:<tag>

(see biobb_structure_checking/tags for valid values for <tag>)

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